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O=C(O)NC/C=C\CCl
ir: 2 4 9 12 5 5 9 3 3 6 7 15 8 14 14 11 20 5 5 27 21 26 52 82 77 60 78 69 100 82 40 35 17 43 40 14 12 3 3 7 4 2 6 7 8 18 22 19 8 4 5 6 5 1 2 5 4 1 4 6 2 6 2 3 2 1 3 3 3 3 6 7 5 3 12 14 32 91 51 7 5 3 4 4 4 7 4 3 6 4 3 3 3 2 2 3 2 2 3 3 2 2 3 3 13 9 8 8 4 4 3 4 4 4 5 6 15 21 27 33 8 5 8 4 4 4 5 2 2 2 2 2 2 3 5 9 7 7 7 3 10 7 7 98 67 75 31 30 66 40 31 10 8 4 3 2 8 10 2 1 2 3 2 0 1 3 2 0 1 3 1 0 1 3 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 0 1 2 2 0 1 3 2 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 3 7 4 4 1 4 5 2 0 14 20 20 49 39 10 5 3 2 3 2 2 10 14 99 36 16 10 6 4 2 2 2 2 4 5 7 19 20 40 25 13 6 3 4 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 69 68 t 1H J 58 | 58 57 dp 1H J 13 97 | 56 56 dtt 1H J 16 40 95 | 41 40 t 2H J 13 | 40 39 dddt 2H J 11 18 38 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1N=C(C)S/C1=C\C(=O)c1cccc(Cl)c1
ir: 3 4 4 4 5 4 1 3 3 1 2 5 6 1 1 2 2 1 1 2 2 1 1 5 4 1 1 2 3 1 2 10 7 4 9 7 12 27 11 6 5 5 5 6 5 7 8 100 20 4 3 9 14 10 12 13 18 3 1 3 5 3 3 7 7 18 7 12 8 3 6 3 4 1 3 3 2 2 2 2 3 2 3 1 1 1 2 2 1 2 13 8 7 4 3 5 3 2 3 3 1 2 2 2 4 3 15 9 4 10 6 4 1 12 16 4 8 19 18 32 9 11 4 13 31 16 29 7 5 9 4 5 3 4 3 4 2 7 4 19 21 10 9 26 87 20 7 2 1 3 3 4 9 9 15 6 5 26 53 9 2 6 7 6 8 4 7 4 2 3 1 0 1 2 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 0 1 2 1 1 1 2 3 3 4 4 2 4 2 6 6 4 4 4 5 11 14 18 14 25 37 83 39 28 9 12 4 6 2 2 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 80 79 t 1H J 22 | 79 78 ddd 1H J 13 22 82 | 76 75 t 1H J 81 | 75 74 ddd 1H J 12 21 81 | 67 66 s 1H | 37 37 t 2H J 66 | 23 23 s 2H | 17 16 p 2H J 65 | 14 13 qt 2H J 63 74 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)CC3)cc1OC
ir: 2 3 2 14 4 4 4 6 10 7 4 2 1 2 1 5 2 3 3 1 2 1 2 3 6 6 3 2 3 2 1 1 1 1 1 3 6 5 1 2 4 1 1 1 1 2 2 2 1 1 2 2 4 29 18 29 3 0 3 3 4 8 8 20 6 7 11 22 17 2 10 14 4 4 3 5 3 2 1 2 3 12 9 1 5 6 14 28 50 42 35 9 1 4 4 3 0 3 15 10 9 4 3 3 2 2 3 2 1 2 2 1 1 1 2 2 3 3 5 2 5 4 7 7 4 4 4 4 4 6 3 5 1 2 5 1 1 1 1 0 1 2 2 3 4 2 3 3 2 14 5 1 6 5 9 3 2 1 1 1 1 1 4 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 1 2 3 2 5 2 2 2 2 2 2 3 2 8 16 20 100 12 9 6 3 3 5 7 54 40 2 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 t 1H J 14 | 71 70 m 2H | 70 69 m 2H | 69 68 d 1H J 82 | 50 49 tdd 1H J 8 44 55 | 45 44 dd 1H J 48 145 | 43 42 dd 1H J 48 145 | 40 40 d 1H J 51 | 39 38 d 6H J 22 | 30 28 m 6H | 27 26 m 2H | 25 24 s 3H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N(C)C12CCCCC2
ir: 0 9 11 4 13 6 11 15 8 11 16 5 8 9 24 17 100 8 8 8 11 19 7 5 3 5 9 4 3 5 6 4 7 10 25 4 3 5 6 2 3 8 5 1 3 5 5 2 3 12 13 3 6 15 40 6 6 11 3 2 5 12 7 3 5 6 7 14 48 32 8 4 19 10 4 3 8 12 4 2 5 5 4 6 11 50 55 7 49 28 8 3 8 8 7 12 13 8 3 4 6 5 3 3 5 10 3 9 5 15 3 5 23 11 9 10 22 7 8 10 13 6 6 13 7 5 3 4 7 3 9 6 6 5 3 9 8 4 5 6 6 3 4 7 31 12 4 6 5 34 5 10 6 2 2 5 4 1 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 5 3 3 6 8 4 6 8 9 3 5 8 7 11 16 14 44 15 18 11 8 6 6 5 5 2 4 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4; 1HNMR: 76 76 m 2H | 75 74 m 2H | 29 29 s 2H | 20 19 ddd 2H J 50 73 113 | 19 19 s 2H | 18 16 m 4H | 16 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C#N)C(c2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)C(C#N)=C(C)N1
ir: 10 35 1 17 5 20 21 11 8 7 5 28 33 17 12 18 7 7 11 7 5 7 3 3 5 4 14 8 7 4 10 5 3 3 3 6 6 5 3 5 2 3 3 1 3 9 3 2 6 2 1 2 2 2 6 4 2 1 1 1 3 2 2 1 2 2 3 3 5 10 1 1 1 2 3 3 4 2 1 2 2 2 1 4 2 1 1 2 4 3 4 4 2 3 11 5 3 2 1 1 2 3 1 1 3 6 8 5 2 2 1 2 1 1 1 2 2 3 1 2 2 6 9 24 15 6 5 6 6 7 7 4 4 5 1 1 2 1 1 2 1 4 19 4 2 4 5 4 2 5 11 65 100 62 39 14 7 3 2 3 2 1 4 4 10 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 2 36 3 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 2 3 2 2 3 5 6 17 5 4 22 5 5 3 3 2 1 2 2 1 1 2 1 1 3 3 4 3 8 10 3 2 3 2 5 13 2 3 3 1 27 93 1 4 2 0 1 1 1 1 2 2 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 82 82 d 1H J 88 | 82 81 m 1H | 74 73 m 1H | 61 61 s 2H | 59 59 s 1H | 46 46 dq 1H J 10 18 | 20 20 dd 7H J 11 75 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc(-n2ccnc2)n1
ir: 3 2 2 2 2 3 6 2 2 2 2 3 4 2 2 2 2 2 3 6 2 2 2 2 2 2 2 1 2 2 5 2 5 8 10 6 18 11 27 39 37 5 5 8 2 1 1 3 12 2 2 3 2 1 2 3 2 4 3 7 18 3 2 3 2 5 6 11 56 59 15 4 4 6 2 4 5 3 2 2 2 4 19 12 2 6 7 3 2 2 5 18 33 5 4 4 9 13 16 25 30 5 20 35 7 3 5 2 1 2 4 5 8 15 13 6 2 8 7 7 5 4 4 3 4 3 6 24 8 5 4 11 11 4 2 2 2 2 2 2 2 2 2 3 7 8 5 2 2 2 2 2 2 2 2 1 1 2 2 0 9 35 6 20 2 1 2 2 2 1 2 48 27 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 2 3 2 3 2 3 3 3 3 10 20 10 19 69 43 100 32 38 10 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 89 89 t 1H J 17 | 86 86 d 1H J 38 | 82 82 dd 1H J 17 56 | 77 77 dd 1H J 16 57 | 66 66 d 1H J 40 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCN1Cc2ccc(Nc3ccc(-c4nnc5n4CCC5)cc3)nc2O[C@H](c2ccccc2)C1
ir: 6 3 5 5 4 4 3 5 2 2 2 2 6 2 2 8 4 7 4 4 2 5 3 2 4 4 2 9 2 2 3 7 2 2 4 6 3 6 12 3 4 7 10 15 3 1 1 2 4 2 2 3 2 2 8 7 10 7 2 3 2 1 1 1 2 1 1 3 2 2 2 2 1 1 2 3 2 2 5 7 2 1 2 3 3 4 12 15 5 3 3 5 2 2 5 3 1 1 2 3 1 2 4 2 10 2 2 3 5 3 3 2 1 1 2 2 1 2 2 1 1 1 3 2 2 2 2 4 4 2 2 2 4 5 3 24 6 4 2 1 1 1 5 6 14 4 10 2 2 2 3 16 10 14 10 1 2 2 1 17 4 1 1 1 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 4 5 5 9 40 8 7 3 1 2 4 1 100 8 0 1 2 1 0 1 1 1 1 2 2 1 1 2 2 12 32 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 80 80 m 2H | 76 75 m 2H | 74 74 dt 1H J 8 81 | 74 73 m 5H | 72 72 d 1H J 80 | 54 53 m 1H | 41 40 dd 1H J 8 153 | 40 40 t 2H J 63 | 40 39 dd 1H J 8 153 | 37 36 m 2H | 36 36 dd 1H J 55 70 | 33 32 dd 1H J 54 124 | 31 30 dd 1H J 48 125 | 29 28 m 3H | 28 28 dt 1H J 52 127 | 25 24 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cc(F)ccc1OC
ir: 9 4 7 7 3 7 5 7 3 4 4 3 3 2 2 3 5 9 7 9 5 2 2 2 2 1 2 4 8 6 3 3 3 2 1 4 3 2 2 6 4 4 7 5 3 2 2 2 2 1 4 6 8 51 30 8 4 6 5 8 12 8 5 9 17 8 8 10 14 32 5 6 6 8 24 27 6 7 3 3 1 1 2 3 4 7 4 3 4 6 3 3 4 9 5 7 5 6 8 7 4 12 20 16 3 2 3 3 3 5 6 14 42 8 11 9 3 7 21 12 8 9 6 10 16 41 9 18 11 5 3 3 5 5 4 3 2 5 3 4 5 3 17 30 26 29 12 5 4 29 26 2 3 10 4 4 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 3 3 2 5 3 4 6 5 5 3 3 5 7 6 8 24 24 19 19 100 32 5 5 4 2 1 2 3 1 0 2 2 1 1 2 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 71 70 ddd 1H J 24 85 101 | 69 68 m 2H | 42 41 q 2H J 66 | 38 38 s 2H | 29 28 tt 2H J 9 84 | 27 27 td 2H J 9 83 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C=Cc1cccc2ccccc12
ir: 12 5 6 6 14 15 10 6 5 15 30 5 2 2 3 1 7 3 2 2 1 1 1 1 1 1 1 1 1 2 0 1 1 1 1 0 0 1 5 1 1 3 1 1 7 81 10 4 1 4 1 1 1 0 1 1 1 0 1 3 1 3 3 1 2 2 1 2 3 2 1 1 1 2 5 3 6 3 3 6 3 1 1 1 1 1 1 1 1 1 1 1 3 4 3 1 2 3 5 5 18 10 1 10 4 10 13 10 10 4 5 4 5 6 13 18 2 5 3 3 2 5 8 4 2 2 3 4 4 10 6 25 9 25 5 3 5 4 3 3 2 1 4 4 24 3 5 13 24 3 6 100 3 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 1 1 1 1 1 1 2 2 2 1 3 1 2 3 3 4 7 8 13 16 15 26 64 13 6 8 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 m 1H | 79 78 m 2H | 76 75 m 4H | 66 65 m 1H | 62 61 dddt 1H J 9 17 78 167 | 39 39 dd 1H J 28 114 | 39 38 m 1H | 37 36 m 1H | 37 37 s 3H | 36 35 m 1H | 31 30 m 1H | 29 28 dddt 1H J 18 27 46 83 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC[C@H]2CNCCN12
ir: 3 2 2 2 3 3 2 2 3 3 4 3 3 3 5 6 6 4 5 5 6 6 5 3 3 3 4 4 3 2 2 3 3 2 3 3 3 2 2 3 2 2 2 3 4 3 3 3 5 11 62 5 13 30 14 5 5 11 12 5 4 5 12 4 4 2 3 4 2 2 3 7 4 3 5 5 2 2 2 3 2 2 3 3 4 3 3 3 2 2 3 3 2 2 3 4 3 3 4 4 4 3 4 3 7 3 3 3 2 5 18 24 21 12 10 6 11 10 5 37 0 5 4 10 3 4 4 4 3 4 13 12 4 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 4 22 6 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 3 2 4 4 6 6 3 3 3 3 3 3 14 3 3 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 4 2 4 19 100 8 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 38 37 m 2H | 37 36 ddd 1H J 34 57 124 | 32 31 ddd 1H J 13 45 121 | 30 28 m 3H | 26 25 dddd 1H J 17 50 68 138 | 25 24 ddd 1H J 51 70 139 | 24 23 tt 1H J 37 44 | 22 21 dddd 1H J 32 50 69 130 | 18 17 ddt 1H J 51 70 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc2ccc(=O)n(CC=O)c2c1
ir: 1 1 2 2 2 1 1 2 1 2 4 7 2 1 1 1 3 3 3 2 4 4 2 3 1 1 1 1 1 1 5 5 3 1 1 1 1 0 1 0 1 5 7 5 4 4 100 92 4 1 1 1 1 2 1 1 1 1 1 5 3 1 2 3 1 1 5 13 9 5 2 3 3 7 13 1 3 2 1 0 1 1 0 0 0 0 0 1 1 1 1 1 1 9 23 9 2 2 4 4 1 0 1 2 5 1 0 1 1 1 1 3 6 6 4 2 0 2 4 6 16 12 4 2 1 3 5 4 3 4 2 1 2 2 2 1 1 1 3 7 1 1 1 0 1 7 52 97 28 8 8 5 3 8 3 2 1 1 1 7 6 1 1 3 7 4 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 0 0 1 1 1 2 2 1 1 2 2 2 2 9 8 1 4 26 32 22 4 4 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 t 1H J 45 | 80 79 d 1H J 18 | 79 79 d 1H J 93 | 74 74 d 1H J 18 | 68 67 d 1H J 93 | 47 47 d 2H J 44 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(-c2ccc(C3CCCC3)cc2)ccn1
ir: 1 1 1 1 2 1 2 1 1 1 2 1 1 4 7 7 6 2 6 4 3 2 1 1 1 1 1 0 1 1 2 4 10 7 3 1 0 1 1 0 1 1 1 1 2 14 5 1 1 1 1 1 2 3 10 21 11 2 4 1 1 1 1 0 3 3 5 14 4 2 2 5 18 5 10 2 1 1 2 3 1 2 3 1 1 1 2 2 3 2 1 1 1 3 2 1 1 1 1 1 1 1 1 1 2 5 5 2 4 5 0 5 2 2 2 3 1 2 1 2 2 4 2 2 2 3 2 3 1 2 1 2 6 5 2 2 1 1 1 1 1 1 1 4 3 13 4 5 10 8 12 4 4 2 2 2 2 1 7 2 1 0 1 2 5 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 1 3 3 2 3 17 11 7 11 100 59 11 3 0 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 45 | 76 76 d 1H J 20 | 76 75 m 3H | 73 72 m 2H | 28 28 m 1H | 19 18 m 2H | 18 17 m 2H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1OCCc2cc(Br)c(OC)cc21
ir: 4 4 1 6 11 7 8 6 18 6 19 6 1 1 1 2 3 2 4 2 3 4 3 1 1 1 1 2 4 10 2 2 1 6 2 1 1 2 2 2 4 5 2 2 1 2 2 0 1 1 1 1 0 1 0 0 1 2 2 0 2 4 1 6 11 18 4 9 34 23 5 7 12 66 21 3 5 4 2 1 1 1 1 0 1 1 0 0 1 1 6 43 12 16 4 2 1 1 4 7 2 22 5 1 2 1 2 1 1 0 1 1 4 4 2 2 8 4 10 5 2 3 1 2 3 2 1 2 1 0 6 1 0 0 1 0 1 1 6 31 2 2 1 4 25 16 4 5 12 1 1 4 9 9 5 2 1 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 2 1 2 1 1 1 7 3 2 4 10 3 6 100 7 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 t 1H J 9 | 70 69 d 1H J 6 | 53 52 s 1H | 41 40 ddd 1H J 40 60 114 | 40 39 ddd 1H J 40 61 114 | 39 38 s 3H | 36 35 s 3H | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNc1nc(NC)nc2c(NCCC)nc(Cl)nc12
ir: 1 2 1 3 7 3 3 2 2 3 4 4 9 8 8 6 4 2 2 2 2 2 2 0 1 2 2 8 4 1 1 2 1 2 5 24 25 5 5 3 2 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 0 0 0 0 1 1 3 3 6 5 2 1 2 5 4 3 1 2 1 2 5 3 3 1 2 2 2 1 1 1 1 1 1 9 3 2 17 17 4 5 6 2 2 0 44 100 9 3 3 16 8 2 1 0 0 3 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 1 1 2 2 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 1 3 14 36 41 7 3 3 2 2 1 1 1 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 t 1H J 50 | 71 70 t 1H J 51 | 61 60 q 1H J 47 | 36 35 q 2H J 55 | 35 35 q 2H J 55 | 31 30 d 3H J 48 | 17 16 dtt 4H J 56 71 128 | 10 9 td 6H J 8 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CCc2ccc(Br)cc21
ir: 0 0 3 2 5 1 0 1 2 3 1 1 2 1 6 1 1 1 1 0 1 1 1 2 1 0 0 0 1 1 0 2 3 5 1 0 0 1 1 0 1 2 1 0 2 1 2 0 1 2 1 36 8 25 4 14 19 40 19 2 3 4 7 21 57 27 11 14 55 93 79 13 6 39 20 16 5 3 4 16 35 7 2 1 2 5 5 2 1 6 14 10 3 3 3 1 2 1 0 8 4 1 1 2 1 2 3 2 4 6 1 2 4 1 3 3 15 12 4 7 5 4 10 17 11 12 10 6 4 10 13 49 52 38 30 12 3 3 2 5 18 7 2 1 1 1 0 0 4 30 3 4 5 1 0 1 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 4 3 3 2 2 2 7 3 7 7 76 14 74 6 2 3 3 2 2 3 3 3 3 8 9 31 60 34 12 6 4 11 19 85 100 4 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 72 dt 1H J 9 79 | 40 39 m 1H | 30 29 dddd 1H J 9 56 73 149 | 29 28 m 1H | 27 27 d 2H J 57 | 23 22 dddd 1H J 26 56 75 143 | 21 20 dddd 1H J 44 56 73 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)/C(=C/c2ccc3c(c2)OCCO3)S1
ir: 6 3 3 2 2 1 0 1 2 1 1 3 2 1 1 3 5 1 2 3 4 2 1 2 2 1 1 2 2 2 1 3 3 4 7 17 6 7 1 4 4 0 5 24 32 14 22 15 12 23 13 6 6 7 9 10 5 1 6 3 1 1 1 2 2 2 6 12 12 3 9 4 1 1 1 1 2 5 8 1 1 1 1 1 1 1 1 2 1 3 4 4 1 3 5 2 1 1 1 1 1 3 8 9 10 3 2 1 0 2 4 6 4 2 2 2 1 2 3 4 7 10 16 6 5 4 3 6 4 1 2 1 1 1 1 1 1 1 1 1 2 2 6 17 10 2 2 1 2 4 3 1 4 4 2 3 1 3 11 100 82 2 4 0 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 0 2 4 14 15 17 23 14 7 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 3 2 3 25 20 3 2 4 1 1 1 1 0 1 1 2 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H | 78 78 s 1H | 74 74 m 2H | 72 71 m 1H | 43 42 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
ir: 2 2 4 2 1 2 2 2 4 3 2 2 3 2 5 2 2 2 2 2 2 3 6 3 2 2 2 3 2 2 1 15 14 6 10 2 21 2 3 2 4 3 2 8 6 15 40 13 2 6 2 0 2 4 3 1 2 3 1 0 1 2 2 2 2 4 5 2 10 14 2 3 2 3 2 1 9 12 8 2 10 13 22 3 3 7 11 2 2 3 23 7 7 2 2 13 6 3 5 20 9 3 2 1 3 2 1 1 2 2 1 2 1 2 5 1 3 34 6 3 5 1 4 11 5 2 0 2 2 2 3 3 3 4 4 2 6 2 1 10 13 32 7 5 6 14 31 5 3 11 5 4 3 7 3 10 2 9 3 11 2 1 1 4 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 3 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 3 3 3 12 10 100 26 17 3 4 2 2 5 83 9 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 s 1H | 84 84 dd 1H J 13 82 | 81 80 dp 1H J 13 114 | 78 77 m 1H | 78 77 d 1H J 16 | 78 77 dd 1H J 82 114 | 76 76 ddt 1H J 15 68 80 | 76 75 m 3H | 75 74 t 1H J 22 | 74 73 dd 1H J 75 83 | 69 68 ddd 1H J 11 20 82 | 57 57 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(c2ncc(-c3cccc(Br)n3)s2)CCN1
ir: 3 3 2 2 3 4 6 3 2 2 1 2 2 1 1 1 2 1 2 2 3 2 1 5 5 21 15 9 24 8 7 4 2 6 2 1 1 1 1 2 2 3 3 19 10 64 33 19 4 3 2 3 2 1 2 5 5 2 2 6 2 1 2 3 3 1 1 1 1 1 2 1 1 2 4 2 2 1 2 2 2 3 17 4 2 3 3 3 2 1 2 2 1 2 3 3 2 3 2 2 1 2 1 1 1 1 2 3 1 1 2 3 1 1 2 2 2 4 2 2 2 3 2 2 2 3 6 4 4 12 6 3 3 2 2 2 4 13 30 2 1 2 3 8 1 1 2 1 1 1 2 9 16 100 71 10 33 5 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 6 3 7 8 18 0 2 2 1 0 1 1 1 1 2 2 1 1 1 2 2 2 2 2 4 4 10 19 9 2 5 10 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dd 1H J 13 71 | 79 78 s 1H | 75 75 m 1H | 74 74 dd 1H J 13 77 | 66 65 t 1H J 33 | 42 41 s 2H | 38 37 m 2H | 35 34 td 2H J 34 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-n1nc(C)cc1N
ir: 5 12 12 31 17 5 5 6 5 7 11 7 4 3 3 2 5 4 3 2 2 3 4 3 2 2 2 2 2 2 2 2 1 2 3 2 4 5 3 2 2 7 54 76 6 4 7 5 2 1 2 2 2 1 2 2 2 1 2 2 2 2 4 3 3 1 2 2 2 2 5 4 2 3 9 12 3 2 2 3 12 3 3 4 3 2 1 1 2 2 1 2 2 2 4 2 2 2 1 2 2 2 4 2 2 2 1 2 2 2 3 3 2 1 1 2 2 3 3 2 2 2 1 2 2 2 1 2 2 1 26 26 2 2 4 4 2 1 10 5 13 3 2 2 2 3 3 2 6 3 2 2 20 17 3 4 2 1 2 10 31 45 10 0 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 4 3 5 6 19 40 10 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 14 16 1 2 2 1 1 2 2 2 2 5 68 100 5 0 1 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 td 1H J 12 70 | 73 72 dd 1H J 15 73 | 72 72 td 1H J 16 70 | 70 70 dd 1H J 11 72 | 55 55 s 1H | 47 47 s 2H | 39 39 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)/C=C(\O)C(C)C
ir: 4 6 5 5 2 6 4 5 7 7 13 9 5 10 12 11 7 8 6 8 6 13 7 32 21 24 26 38 19 17 10 7 7 10 12 20 14 7 5 4 4 3 2 4 3 2 5 2 2 2 2 2 3 2 2 3 3 3 2 2 2 2 2 3 1 2 2 2 2 2 2 2 6 11 12 3 7 5 10 9 5 2 4 4 3 6 15 26 9 2 6 10 37 23 50 57 59 20 8 8 19 38 34 26 12 11 4 9 5 4 4 3 5 6 6 4 6 4 5 5 4 3 2 3 2 4 3 9 15 21 19 9 5 6 10 5 5 2 2 2 2 2 3 3 6 12 5 9 5 2 2 2 2 1 1 2 2 1 3 5 41 25 31 2 3 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 2 1 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 3 2 3 2 2 2 4 4 2 3 10 7 6 21 37 17 5 11 30 87 100 60 11 16 13 5 1 4 5 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 61 60 d 1H J 9 | 43 43 q 2H J 71 | 25 24 heptd 1H J 10 71 | 13 12 t 3H J 71 | 11 11 d 7H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Br)C1CCCCCC1
ir: 7 8 6 2 5 8 15 11 2 2 4 1 2 8 2 1 1 1 4 3 0 1 2 1 0 1 3 1 1 2 20 3 1 2 1 0 1 2 2 1 1 2 1 1 4 4 7 2 3 2 2 1 2 2 2 2 2 2 3 2 1 2 1 1 9 4 1 2 1 2 1 0 9 4 6 5 6 3 1 1 2 2 1 1 1 1 1 1 1 2 1 14 6 2 2 2 2 2 2 1 1 1 8 23 19 4 4 3 3 11 23 39 28 19 16 11 11 8 4 13 12 7 4 4 8 2 4 2 11 6 1 6 3 2 4 2 2 1 1 2 2 1 2 83 100 4 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 2 1 2 3 2 2 3 6 4 8 10 5 7 24 24 9 35 46 15 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 42 41 m 3H | 24 23 dp 1H J 65 77 | 17 16 m 2H | 16 13 m 10H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2ccc(OC)nc2)cc1
ir: 8 9 13 14 12 5 10 7 21 20 10 6 5 2 5 8 24 48 49 5 4 4 7 2 1 2 2 1 2 10 3 2 1 5 12 49 70 10 5 1 2 3 2 2 1 8 2 1 1 3 1 7 18 65 63 20 3 6 4 1 2 4 5 8 2 3 3 0 2 11 52 6 8 6 9 6 2 3 3 3 5 2 1 0 1 2 1 3 5 11 5 1 2 1 0 1 6 3 6 1 3 1 0 1 2 1 0 1 3 5 34 6 18 26 2 13 29 37 37 11 5 5 7 11 12 7 15 50 35 12 2 3 4 1 0 5 14 49 17 5 4 4 25 91 22 13 12 68 10 8 17 10 10 6 9 4 3 3 6 47 27 2 2 3 27 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 2 3 3 1 1 2 1 1 2 4 2 3 2 4 4 13 20 66 57 100 66 25 7 5 6 6 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 d 1H J 19 | 81 80 m 2H | 78 78 dd 1H J 19 81 | 77 76 m 2H | 68 68 d 1H J 81 | 44 44 q 2H J 64 | 39 39 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cn[nH]c2)CC1
ir: 5 3 1 5 5 6 0 3 5 3 1 3 4 3 3 3 4 3 3 3 4 2 1 3 3 1 2 3 3 3 1 4 4 2 2 3 3 14 2 4 4 4 7 6 9 8 100 6 5 9 5 4 2 2 2 4 4 4 3 4 4 1 3 4 4 3 4 4 3 4 4 9 5 4 6 6 5 21 7 5 5 7 4 6 9 6 4 5 3 13 13 5 2 2 3 4 5 7 14 7 19 10 6 4 1 2 4 3 1 3 5 3 5 19 24 5 2 4 7 3 1 3 3 2 2 4 5 2 2 3 4 4 2 4 3 2 2 3 3 2 1 3 3 2 2 3 5 4 8 6 3 3 2 3 3 1 2 3 3 2 5 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 3 2 2 3 2 1 3 3 4 2 3 3 3 3 9 16 3 2 3 3 2 1 2 3 2 2 2 3 2 2 3 4 2 2 3 3 5 5 13 39 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 98 98 d 1H J 37 | 73 72 dd 1H J 16 38 | 70 70 d 1H J 18 | 33 32 m 7H | 30 29 ddd 2H J 43 54 110 | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Sc1ccc(O)cc1)c1cccc(Cl)c1
ir: 3 3 9 8 3 2 3 2 4 2 2 8 3 1 1 2 1 1 2 2 1 1 1 1 2 3 2 2 3 1 4 3 5 2 1 1 1 1 1 1 0 0 1 1 1 2 9 6 2 2 4 3 8 12 11 14 6 5 2 3 1 1 1 2 6 1 2 4 10 6 1 1 2 1 2 4 4 4 8 46 4 1 10 23 5 7 9 58 8 2 1 1 1 1 2 6 3 1 1 2 1 0 1 0 0 2 1 8 5 5 2 2 1 2 2 2 3 5 2 3 2 1 1 1 3 9 3 2 3 2 1 0 0 0 1 1 0 1 1 4 7 4 3 2 11 21 20 2 4 3 3 7 29 1 3 1 1 1 1 1 3 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 2 3 3 1 1 2 1 1 1 3 1 1 2 4 4 4 1 7 4 5 26 27 20 13 9 5 4 6 16 100 80 19 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 td 1H J 7 21 | 74 74 m 2H | 73 73 m 3H | 70 70 s 1H | 68 68 m 2H | 52 52 s 1H | 42 41 qd 2H J 35 63 | 12 11 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](N)COc1ccc2c3ccncc3c(=O)n(C(C)C)c2c1
ir: 3 5 2 2 1 2 12 5 13 12 4 3 1 3 3 3 5 2 3 8 14 10 2 2 3 2 3 3 2 2 1 1 2 2 1 1 2 12 16 3 2 2 4 10 3 4 5 7 48 4 6 8 12 8 7 28 16 4 8 11 9 23 26 50 100 27 7 12 10 24 9 19 22 64 11 25 27 11 14 10 3 2 8 10 21 8 5 2 3 3 2 1 5 3 2 2 2 2 1 5 2 1 2 2 2 4 2 4 4 3 6 4 7 22 20 4 5 5 2 8 5 7 4 7 18 17 12 15 13 6 12 41 20 19 17 14 8 7 5 5 4 2 2 3 3 11 3 5 2 3 4 14 24 14 6 1 25 37 25 28 11 12 16 7 6 5 4 2 3 13 10 37 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 0 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 1 2 2 2 2 3 1 3 3 4 10 19 12 7 22 8 23 35 18 23 6 1 3 1 2 1 2 2 8 13 32 51 16 9 7 10 6 64 68 1 2 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 93 d 1H J 13 | 89 88 dd 1H J 13 48 | 79 79 d 1H J 47 | 77 77 d 1H J 86 | 73 73 d 1H J 24 | 69 68 dd 1H J 24 86 | 49 48 hept 1H J 69 | 42 41 m 1H | 39 38 m 1H | 33 32 m 3H | 17 16 hept 1H J 72 | 15 14 ddd 1H J 68 75 143 | 14 13 d 6H J 70 | 13 12 m 1H | 9 9 d 3H J 71 | 8 8 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(Sc2cc(Br)cc(Br)c2)cc1C
ir: 8 3 9 6 8 8 4 4 0 4 12 13 9 3 2 2 4 6 8 5 1 3 2 2 5 5 4 6 14 14 15 3 1 1 5 0 1 2 2 2 3 2 2 2 2 2 2 1 2 1 2 7 47 18 26 5 9 2 3 1 2 3 4 7 25 33 30 9 16 8 6 3 3 4 13 5 5 2 1 1 1 2 4 20 7 4 6 15 18 9 6 2 2 3 2 1 4 13 3 6 18 25 14 3 3 2 2 1 1 1 1 3 3 3 1 3 4 4 15 8 38 42 40 3 7 6 11 7 6 10 9 5 2 2 1 1 2 1 3 2 6 5 12 14 69 24 5 3 4 11 3 3 9 8 4 4 28 5 5 4 1 1 0 1 0 0 0 1 0 0 1 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 1 2 2 2 1 3 2 3 2 4 3 1 4 6 8 6 19 58 52 100 70 73 15 8 3 3 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 t 1H J 22 | 75 74 d 2H J 22 | 73 72 m 2H | 69 68 d 1H J 78 | 47 46 s 2H | 43 42 q 2H J 66 | 22 22 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2cccc3c(=O)cc(C(=O)Nc4cccc(N5CCOCC5)c4)oc23)CC1
ir: 2 4 10 3 1 4 3 5 1 4 8 5 2 2 3 5 7 10 7 5 6 7 4 1 1 7 4 5 5 18 19 3 16 21 6 4 10 5 3 7 10 49 21 25 30 78 60 43 73 44 13 10 3 7 7 4 11 8 3 2 3 7 6 16 12 46 31 54 21 15 5 2 16 22 10 5 9 39 60 4 56 14 14 7 13 22 13 10 8 6 2 2 4 3 8 6 4 26 47 37 12 5 3 6 13 21 8 6 6 8 3 5 7 3 2 4 3 11 5 4 7 7 22 36 9 7 1 6 6 5 2 5 13 12 12 6 3 1 1 6 12 33 16 9 6 6 59 20 28 9 4 21 4 17 13 10 15 100 9 9 6 2 45 17 13 0 2 3 2 0 1 3 1 1 1 3 1 1 2 3 2 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 2 2 2 1 2 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 6 5 3 4 3 1 3 5 4 5 19 13 20 32 98 48 21 9 3 3 2 1 3 4 1 1 2 5 6 2 4 4 2 4 5 14 13 16 60 11 5 2 2 1 1 1 2 1 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 94 94 s 1H | 79 79 dd 1H J 13 82 | 74 73 ddd 1H J 12 22 82 | 73 72 dd 1H J 72 81 | 72 72 dd 1H J 75 82 | 70 70 m 2H | 68 68 s 1H | 66 66 ddd 1H J 12 22 71 | 39 38 m 4H | 34 34 m 4H | 34 32 m 7H | 30 30 m 2H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc(-c2nccs2)c2[nH]cc(C(=O)C(=O)N3CCN(c4ccccn4)CC3)c12
ir: 8 8 3 4 5 4 4 5 8 3 2 4 3 2 3 5 5 4 3 3 3 2 3 4 4 3 11 8 3 7 10 11 7 9 9 17 10 9 6 11 18 1 2 3 3 2 6 5 2 1 2 4 5 3 4 5 8 0 8 12 16 42 21 3 5 4 5 2 10 22 19 9 3 5 6 5 9 9 4 6 26 5 9 5 4 11 19 10 6 4 7 6 7 4 19 4 3 6 9 6 7 4 5 5 5 3 4 25 12 5 6 3 9 23 14 15 23 27 10 11 10 12 24 8 12 6 13 19 16 32 14 7 8 14 8 8 11 20 15 11 5 4 5 25 7 4 4 2 3 4 5 3 2 5 3 2 2 2 2 1 7 5 8 5 2 2 2 2 3 4 4 2 3 3 3 2 2 2 3 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 6 3 3 5 6 8 6 3 3 6 6 6 8 10 34 23 22 100 39 45 6 5 2 2 2 3 3 2 2 2 2 2 3 2 2 2 2 2 3 4 3 6 15 23 11 13 6 4 5 4 4 3 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 82 81 m 2H | 81 81 dd 1H J 17 44 | 79 79 d 1H J 42 | 75 75 td 1H J 17 72 | 74 73 d 1H J 44 | 68 68 dd 1H J 14 70 | 67 66 ddd 1H J 14 45 73 | 40 40 s 3H | 38 37 dd 4H J 47 60 | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(S(C)(=O)=O)c2)ccc1Cl
ir: 7 4 4 7 4 4 7 9 9 6 29 19 6 5 7 8 6 9 5 3 2 4 4 3 2 3 3 4 2 7 23 7 7 5 6 12 9 6 8 17 5 5 4 3 4 7 12 19 7 7 3 15 16 11 18 3 8 13 4 1 7 9 3 0 8 30 100 40 25 16 12 3 4 4 7 8 6 4 3 3 3 5 7 3 13 17 44 7 3 4 8 16 16 20 6 14 6 5 15 4 8 28 63 8 22 33 5 4 5 5 3 3 4 5 2 4 8 7 4 21 12 13 2 7 7 19 14 8 9 4 2 5 6 5 5 21 5 5 5 7 34 24 7 3 13 23 3 7 11 10 8 5 5 8 4 4 5 4 19 20 20 12 25 9 4 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 3 2 3 4 2 2 3 4 2 3 3 3 2 2 4 3 2 2 4 4 2 4 5 7 3 5 5 3 3 4 6 5 3 4 8 23 14 19 51 60 86 30 32 14 7 6 5 6 6 4 4 3 2 3 4 4 3 4 3 3 3 3 3 3 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 77 76 dd 1H J 12 74 | 75 74 dd 1H J 11 84 | 74 73 m 3H | 72 71 t 1H J 22 | 70 69 d 1H J 22 | 69 69 dd 1H J 22 79 | 69 68 dt 1H J 21 121 | 32 32 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCc1ccc(C#N)c(O)n1
ir: 0 1 1 5 0 0 2 4 6 5 5 3 2 2 2 2 4 4 3 2 1 1 0 1 0 1 2 4 2 1 1 0 0 1 1 1 0 0 1 2 5 14 23 2 2 1 1 0 1 1 0 0 1 4 3 3 3 10 2 2 1 1 1 1 1 1 1 1 1 0 1 2 3 2 4 13 3 2 1 1 1 1 1 0 1 2 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 0 0 1 2 5 2 2 2 1 2 1 2 2 2 5 3 4 2 2 1 1 0 1 2 0 0 0 1 8 3 0 0 1 0 4 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 3 2 2 5 6 2 1 1 1 1 1 1 2 2 100 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 78 78 d 1H J 78 | 69 69 dt 1H J 9 79 | 59 58 m 1H | 52 51 ddt 1H J 13 24 163 | 50 49 m 1H | 29 28 tt 2H J 10 78 | 25 24 qt 2H J 14 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCC(=O)N[C@@H]2CC[C@@H](C)CC2)ccc1OCC(=O)O
ir: 2 1 0 1 1 1 1 1 3 2 2 2 1 4 2 3 7 2 7 11 25 100 7 11 4 13 3 4 2 0 1 1 2 1 3 10 5 2 2 2 2 1 1 1 1 3 1 1 2 2 2 2 2 2 5 8 1 1 2 1 1 0 1 1 2 1 2 2 8 7 0 2 1 1 2 3 1 13 21 15 18 4 1 2 1 1 4 2 1 1 2 2 1 1 1 1 1 3 4 2 1 1 1 1 0 0 1 1 0 2 5 3 1 2 4 2 1 3 2 1 2 2 4 1 3 4 3 3 2 1 2 1 0 1 1 0 0 1 1 1 1 5 12 15 8 35 35 8 3 8 7 1 1 5 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 2 1 2 1 1 1 1 2 4 9 3 6 22 10 2 1 1 0 0 1 1 4 10 1 1 0 0 0 1 1 0 1 2 3 5 30 18 5 6 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 d 1H J 86 | 68 67 m 2H | 59 58 d 1H J 88 | 46 46 s 2H | 39 38 s 2H | 35 34 dtt 1H J 36 62 88 | 29 28 tt 2H J 11 90 | 25 25 t 2H J 85 | 17 17 dddd 2H J 37 53 79 134 | 16 14 m 4H | 14 12 m 3H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C(N)CC(=O)OC)ccc1OC
ir: 5 3 4 3 2 2 2 2 1 3 2 2 3 2 3 3 3 4 1 2 3 7 3 3 5 6 6 5 1 1 1 1 1 2 0 2 2 4 7 4 1 2 2 2 2 3 8 5 3 3 2 6 9 59 34 50 22 12 11 6 18 13 11 15 9 5 3 14 12 5 47 41 10 17 9 11 29 100 76 32 17 8 4 1 4 2 2 4 11 16 15 6 3 4 2 2 4 3 4 4 8 3 2 1 2 1 1 1 2 5 13 9 5 3 3 1 5 2 10 7 10 7 7 4 8 4 9 8 9 16 21 38 46 91 15 7 9 7 3 3 3 2 11 18 31 5 4 2 2 6 10 2 1 4 8 2 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 1 3 2 3 3 3 2 4 2 3 1 3 10 15 12 11 22 21 20 3 2 1 0 1 1 2 4 3 5 13 37 49 29 20 8 6 6 8 55 60 11 4 2 2 0 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 m 3H | 46 45 m 1H | 42 41 q 2H J 62 | 39 38 s 3H | 37 36 d 5H J 59 | 30 30 dd 1H J 64 178 | 28 27 dd 1H J 64 178 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H]1CCCN(c2nc(Nc3cc(N)cc(C(F)(F)F)c3)nc3c(C)cccc23)C1
ir: 1 3 4 2 1 2 4 2 0 4 3 2 3 8 3 6 4 9 6 17 2 4 6 4 17 31 15 10 29 8 14 42 100 28 5 2 1 4 3 1 1 3 2 2 6 22 16 2 3 4 4 3 12 11 2 0 2 4 2 1 2 4 3 1 3 6 8 40 5 5 4 2 6 4 4 2 5 5 11 2 3 3 1 4 11 4 2 1 6 3 1 2 5 4 3 2 5 8 6 5 3 3 4 5 4 4 5 41 7 2 4 3 4 2 1 2 4 1 1 2 4 2 2 3 4 2 0 2 5 5 2 5 4 3 6 4 10 13 1 3 3 2 6 4 28 17 33 11 16 23 4 3 6 11 2 15 28 23 5 44 3 3 32 10 16 3 4 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 2 1 1 3 2 2 2 3 2 1 2 5 3 2 6 6 4 22 12 7 3 1 3 2 2 1 2 3 1 1 2 3 2 2 3 6 31 12 8 21 10 4 9 49 14 4 16 13 90 6 4 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 m 2H | 78 78 s 1H | 77 77 m 1H | 75 74 dd 1H J 86 97 | 72 71 t 1H J 22 | 68 67 t 1H J 21 | 67 66 d 1H J 93 | 52 52 s 2H | 40 39 m 1H | 39 38 dd 1H J 27 133 | 37 35 m 2H | 35 34 ddd 1H J 42 68 135 | 27 26 d 3H J 7 | 20 17 m 5H | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CNc2ncc(Br)cc2OC1
ir: 2 3 2 3 2 2 9 7 3 3 7 4 3 3 3 15 17 14 13 4 6 9 3 2 5 14 26 11 4 2 2 3 9 10 7 5 8 16 42 17 12 36 15 1 2 4 2 2 3 3 3 2 3 2 3 3 2 2 3 3 2 2 2 3 3 3 3 7 7 10 6 2 2 2 2 2 2 2 2 2 1 1 2 2 2 4 6 9 3 6 10 15 6 3 1 1 2 3 8 4 7 5 5 5 2 2 1 2 4 7 2 2 1 2 2 2 4 14 25 44 14 4 4 2 3 4 2 4 3 2 3 7 5 2 1 2 3 1 0 5 27 33 21 3 1 3 3 5 12 6 6 4 5 12 10 2 1 4 9 9 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 1 2 2 2 1 2 2 2 2 2 3 5 6 4 6 16 18 5 2 2 1 1 2 2 1 1 1 1 1 3 3 6 2 2 2 5 2 2 5 6 16 100 60 10 4 3 2 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 16 | 77 76 d 1H J 16 | 60 59 t 1H J 50 | 41 41 s 2H | 36 36 d 2H J 49 | 11 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CC(F)(F)CC[C@H]1O
ir: 3 4 3 3 6 4 12 9 7 4 9 5 2 1 2 1 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 7 4 4 3 7 18 4 6 5 4 2 3 3 2 1 1 1 2 13 5 5 1 1 2 7 24 4 5 8 8 1 1 2 4 22 30 7 3 1 4 1 1 1 1 2 1 1 1 1 2 1 2 2 2 5 2 1 2 1 1 1 1 1 1 1 1 1 3 3 4 1 4 3 5 4 3 3 3 6 13 4 7 11 18 6 2 2 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 3 2 1 2 1 2 2 1 2 7 2 1 1 1 1 0 0 1 2 8 57 27 2 1 3 9 12 8 14 4 2 4 5 3 57 100 4 2 0 2 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 36 35 ddt 1H J 48 77 84 | 34 33 m 1H | 32 31 d 2H J 61 | 26 26 d 1H J 49 | 24 21 m 2H | 21 20 m 1H | 20 18 m 2H | 17 16 ddtt 1H J 28 77 104 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(C(=O)O)ccc1Br
ir: 2 1 2 2 4 5 6 2 1 1 1 1 3 4 3 4 6 4 6 11 12 33 60 7 4 3 2 2 3 4 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 9 28 2 3 3 6 0 2 2 1 1 1 1 5 15 7 10 3 2 3 2 4 11 6 8 100 64 2 2 2 2 2 6 2 2 1 2 1 2 6 12 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 3 12 10 3 2 1 1 1 2 4 4 1 4 5 7 2 1 1 1 1 1 1 1 2 1 4 22 30 7 26 19 2 2 1 1 10 13 6 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 4 3 2 17 49 13 7 2 1 1 2 1 0 35 29 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dt 1H J 8 19 | 79 78 dd 1H J 20 84 | 76 76 d 1H J 84 | 45 45 d 2H J 7 | 35 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(-c2cc(Br)c(O)c(Br)c2)cn1
ir: 0 0 0 0 0 0 0 1 9 3 6 9 0 1 3 1 1 0 0 1 3 1 1 1 0 0 1 1 4 3 1 4 2 1 1 6 6 1 1 0 3 9 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 1 16 1 1 0 1 0 0 1 3 1 0 0 0 0 1 1 19 10 69 18 2 1 1 1 0 8 4 1 0 1 4 1 4 1 6 3 1 1 2 2 1 1 0 1 1 1 1 0 0 0 1 0 0 0 1 2 2 1 1 1 1 0 1 1 1 1 1 2 1 12 1 1 0 1 1 1 3 29 4 7 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 2 2 10 29 16 7 7 1 0 0 1 100 10 1 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 18 | 83 83 d 1H J 18 | 76 76 s 2H | 60 60 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)CN1C(=O)OC(C)(C)C
ir: 2 5 3 2 2 4 4 3 1 2 8 6 4 3 1 1 2 10 0 1 1 1 1 0 0 1 0 4 1 0 0 1 1 1 2 2 1 0 3 2 2 5 9 3 2 2 3 6 6 5 3 4 2 2 8 5 2 1 1 17 3 0 1 3 16 1 15 5 8 8 10 3 3 5 6 0 3 1 1 2 1 1 1 0 3 52 3 3 3 1 1 0 2 3 9 4 12 2 1 4 5 20 27 10 12 17 12 11 10 9 0 13 8 9 3 3 2 3 7 2 5 4 1 2 2 1 1 5 10 18 6 12 4 8 1 1 1 7 0 1 1 0 0 1 4 1 1 1 1 2 1 29 4 1 1 0 0 0 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 1 0 2 1 2 5 13 3 61 5 1 3 1 0 1 3 0 0 0 0 0 0 0 1 1 0 1 1 4 3 5 100 14 5 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 t 1H J 43 | 72 71 m 1H | 60 60 d 1H J 100 | 40 39 m 2H | 38 38 dt 1H J 22 108 | 36 35 dd 1H J 42 108 | 21 20 dt 1H J 46 121 | 18 17 dt 1H J 64 119 | 15 14 s 8H | 12 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1
ir: 3 3 3 5 3 3 3 3 3 4 12 9 7 3 3 3 4 4 3 3 4 4 2 2 2 2 2 3 2 4 16 4 3 5 2 3 4 3 10 19 14 4 6 2 4 5 6 6 4 2 3 3 4 3 6 8 31 43 8 2 3 5 4 4 3 3 5 4 7 3 2 2 2 2 2 2 2 3 4 3 2 2 2 2 2 2 2 2 2 5 2 3 2 2 4 3 2 3 3 3 3 2 3 3 3 7 4 5 12 13 92 13 8 7 15 12 18 9 2 6 7 9 5 6 6 4 4 6 8 13 14 5 6 5 2 9 4 5 5 4 3 2 4 26 5 1 2 5 4 0 3 90 0 6 3 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 4 4 3 3 2 3 4 2 4 2 25 16 6 22 7 3 3 3 2 3 2 2 2 3 2 2 2 3 4 3 4 4 6 100 11 4 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 m 2H | 73 72 m 3H | 39 38 tdd 1H J 27 55 81 | 36 36 ddd 1H J 35 55 126 | 35 35 ddd 1H J 35 56 126 | 31 31 ddd 1H J 27 44 119 | 30 29 m 4H | 29 28 ddd 1H J 44 55 119 | 28 27 ddt 1H J 9 82 137 | 18 18 tt 1H J 37 44 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2ncc(C(F)(F)F)cc2CN1
ir: 2 4 6 3 8 22 3 7 4 2 1 2 3 2 5 12 15 4 5 2 3 2 3 4 6 3 7 85 100 81 27 21 8 8 24 8 6 6 5 7 5 5 3 4 3 10 10 2 2 3 6 5 6 22 19 12 35 10 6 5 2 6 2 2 2 6 5 15 12 5 3 8 23 4 1 1 2 2 2 2 2 2 2 2 4 3 2 4 6 7 1 1 3 2 1 4 6 7 0 42 5 5 5 3 2 5 3 2 2 2 2 4 55 47 8 5 3 4 4 17 14 4 3 6 12 13 18 12 14 30 19 2 1 2 8 9 5 2 3 1 1 2 2 1 1 7 18 18 4 5 9 22 75 58 26 21 5 3 2 2 28 19 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 3 4 3 4 2 2 2 2 4 8 8 7 2 6 4 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 4 8 13 16 16 21 22 14 7 5 2 2 1 1 1 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 p 1H J 13 | 82 81 dh 1H J 10 19 | 66 65 t 1H J 55 | 47 46 dd 2H J 9 55 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOc1ncc(-c2ccc(O)cc2)cn1
ir: 2 4 6 2 2 2 2 3 4 2 7 4 3 8 6 2 2 2 1 1 1 2 1 1 1 1 4 5 6 3 2 2 3 2 2 0 1 3 4 3 2 3 1 1 1 3 4 2 3 4 3 5 21 36 75 100 47 3 38 15 6 2 2 3 2 0 4 5 1 8 3 2 3 1 1 1 1 4 12 20 50 29 30 18 6 5 3 7 13 4 1 2 4 4 5 3 3 1 1 1 1 1 1 1 1 2 6 3 5 8 5 3 3 3 12 3 2 9 15 10 4 2 12 13 15 14 14 8 35 9 7 4 3 1 0 1 1 1 1 1 3 7 28 42 5 3 3 7 4 3 1 6 10 10 2 2 2 8 32 3 1 0 0 2 6 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 2 1 2 2 3 4 3 2 1 2 1 4 3 6 16 13 11 25 16 3 3 3 3 7 13 22 14 5 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 2H | 74 74 s 1H | 74 74 m 2H | 69 68 m 2H | 43 43 t 2H J 79 | 18 17 p 2H J 77 | 15 14 dq 2H J 70 79 | 14 12 m 8H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC[C@@H]2[C@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1
ir: 10 18 23 10 5 5 5 1 1 6 4 1 1 1 1 2 4 2 1 1 3 2 2 2 1 1 1 2 3 11 8 16 10 24 19 18 24 13 17 18 76 45 9 7 4 7 11 5 5 3 6 6 9 3 3 1 1 1 1 1 1 0 1 2 12 13 11 6 20 20 8 3 4 3 2 3 2 7 6 1 2 2 3 3 4 5 6 17 22 15 15 4 4 5 6 8 9 15 20 7 2 2 3 8 4 1 1 4 7 3 2 2 2 8 5 1 5 5 8 40 21 12 5 15 5 2 5 5 2 3 4 2 4 5 3 23 30 9 5 1 1 9 25 40 68 27 10 6 2 2 1 8 7 4 12 7 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 4 3 3 2 2 0 9 11 6 4 17 36 35 80 100 19 8 6 2 1 2 3 3 2 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 10H | 49 48 dt 1H J 8 127 | 47 47 dt 1H J 9 125 | 46 46 dd 1H J 10 129 | 45 44 m 3H | 44 44 dd 1H J 18 35 | 43 42 dd 1H J 38 104
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CC(=O)O)Cc1cccc(Cl)c1
ir: 3 1 1 3 6 3 4 2 2 2 3 4 7 19 2 3 4 5 4 17 15 100 87 17 9 10 6 1 2 4 4 4 0 3 5 8 0 2 1 0 1 3 4 3 4 8 35 21 5 5 4 1 1 2 1 1 1 3 1 0 1 2 2 1 1 1 2 1 4 2 1 1 2 3 4 2 6 15 42 4 6 6 3 1 2 4 9 11 7 1 1 2 1 3 2 1 3 4 5 7 3 2 1 2 2 2 3 4 5 5 4 4 4 3 1 1 2 2 3 10 7 4 2 2 3 6 3 5 3 1 1 2 4 7 7 7 3 4 2 5 6 3 7 27 11 2 2 2 1 1 1 3 4 1 2 2 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 2 3 4 1 3 3 2 2 4 2 3 4 11 9 9 30 14 6 2 0 1 3 2 1 42 22 15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H | 71 71 m 2H | 29 28 ddt 1H J 9 74 133 | 27 26 ddt 1H J 9 74 133 | 25 24 m 1H | 23 22 m 2H | 11 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(F)cc2Cl)n(-c2ccccc2)n1
ir: 1 3 6 3 2 6 5 3 3 9 4 2 2 5 4 3 8 6 4 3 3 6 5 2 2 2 3 5 11 22 11 7 4 7 11 5 4 4 6 11 14 10 11 14 9 21 33 31 19 24 9 10 4 1 8 8 2 1 2 2 2 3 2 3 4 7 6 7 7 13 9 2 3 4 5 7 8 3 2 5 3 3 3 3 2 4 5 4 6 4 6 13 10 5 6 11 9 4 3 8 3 2 2 2 2 2 1 1 4 10 3 3 3 5 2 2 2 2 2 3 3 5 2 4 3 2 3 11 4 4 2 17 66 52 7 15 22 2 36 0 0 3 3 4 5 5 5 14 29 3 7 62 53 6 100 3 4 4 2 2 4 3 6 43 4 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 1 1 2 2 2 2 4 6 23 28 18 17 14 16 52 54 16 8 8 4 2 2 3 3 1 3 2 2 2 3 5 6 38 37 18 9 6 3 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H | 86 86 dd 1H J 16 40 | 86 85 d 1H J 51 | 80 79 t 1H J 61 | 78 77 m 2H | 77 77 m 4H | 76 75 d 1H J 122 | 74 74 tt 1H J 13 72 | 73 73 s 1H | 72 72 ddd 1H J 18 40 67 | 54 54 t 1H J 57 | 36 36 dt 2H J 47 58 | 34 33 dt 2H J 46 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NN=C(C=Cc2ccc(O)cc2)c2cc3c(cc2C1)OCO3
ir: 5 3 3 6 8 3 3 6 6 6 11 9 7 5 5 3 3 3 1 2 3 1 1 2 3 9 1 5 2 2 1 6 6 2 2 4 4 0 1 2 2 1 1 3 3 1 2 2 2 2 4 7 16 10 27 6 20 8 4 5 3 2 2 3 5 69 15 20 63 40 6 5 5 3 12 5 26 31 23 42 43 18 6 13 5 5 11 43 7 11 28 7 3 2 3 8 4 1 3 3 27 5 4 2 2 2 5 4 16 7 5 2 0 2 3 2 2 4 3 7 7 7 3 4 6 9 8 3 1 6 6 5 12 12 14 16 14 6 4 6 13 8 5 1 27 30 8 41 4 20 11 2 5 17 5 4 2 2 1 1 1 2 1 5 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 3 3 3 2 2 4 5 3 4 5 3 9 3 3 3 4 4 14 18 21 21 47 100 49 6 14 10 5 12 27 89 13 23 6 5 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 3 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 1H | 74 74 m 2H | 72 71 d 1H J 147 | 69 68 s 1H | 68 67 m 3H | 60 60 s 2H | 58 58 s 1H | 37 37 d 2H J 10 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Nc2cccc(OC(F)(F)F)c2)n[nH]1
ir: 6 5 6 3 4 3 1 4 9 9 3 5 5 6 1 4 6 5 3 3 6 4 7 6 4 3 1 2 4 2 2 2 3 2 4 4 1 2 1 2 2 0 1 2 2 0 3 17 16 5 2 2 1 1 1 2 2 1 3 5 6 7 3 3 4 7 13 16 10 7 3 6 3 3 6 10 9 7 16 7 9 6 4 3 1 1 2 2 2 2 7 15 12 21 5 16 20 10 14 23 100 19 30 8 5 9 6 11 6 2 1 8 18 4 1 3 5 2 52 36 3 5 3 3 0 2 2 2 5 16 41 28 4 3 2 2 1 2 2 2 4 10 9 4 3 8 28 20 17 12 15 8 6 12 4 3 7 7 2 1 1 3 10 34 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 3 3 1 1 1 8 16 12 4 3 4 3 4 5 12 4 17 67 70 25 11 5 3 4 6 10 12 2 2 5 10 14 9 7 8 8 27 18 5 3 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 81 s 1H | 73 73 ddd 1H J 13 21 79 | 72 72 dd 1H J 69 78 | 71 71 ddd 1H J 12 21 68 | 69 69 s 2H | 67 67 t 1H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(N)c(N)c(C#N)n2)cc1C(F)(F)F
ir: 14 7 14 5 6 6 29 33 11 9 10 13 34 65 18 23 22 8 17 16 6 4 4 6 3 4 3 31 10 7 13 4 6 3 4 5 5 7 5 5 8 2 2 2 5 2 3 3 2 2 2 2 2 7 29 13 5 4 3 3 3 3 3 7 12 7 21 3 3 2 2 5 2 4 2 3 6 4 3 2 4 33 5 2 1 2 2 2 7 17 7 8 1 2 3 3 2 1 11 44 6 7 11 2 2 2 4 19 9 3 6 11 1 2 3 3 2 3 4 2 4 5 12 6 14 6 2 6 3 3 2 1 1 2 2 5 9 4 2 1 3 3 5 4 15 18 22 4 3 17 34 6 9 29 14 2 5 38 100 60 40 10 2 8 3 1 5 5 2 0 1 3 2 0 1 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 1 2 2 2 2 2 4 5 6 12 36 23 4 4 3 4 3 2 3 2 2 2 3 1 1 2 4 5 36 33 10 3 2 2 3 2 3 3 9 12 95 68 26 6 3 1 1 3 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dq 1H J 13 24 | 76 75 dd 1H J 22 81 | 74 73 s 1H | 71 71 d 1H J 80 | 48 48 s 2H | 42 42 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)O[C@H]2[C@H]3[C@H](O)CCCN3C[C@H]2O1
ir: 20 6 4 2 1 1 2 2 2 16 18 28 13 4 2 4 4 5 2 1 1 1 1 1 2 1 10 9 11 8 5 2 3 3 2 6 3 7 4 1 1 3 2 1 1 3 2 3 3 4 2 17 11 20 3 6 6 3 4 1 1 1 1 1 2 3 2 1 2 2 1 3 4 6 4 10 4 5 4 1 10 9 9 18 58 30 100 8 2 2 4 6 2 3 5 5 24 19 10 14 9 17 13 6 3 2 1 4 2 4 1 4 14 5 3 3 4 2 3 4 2 2 2 2 3 4 3 5 8 5 1 3 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 2 2 3 2 4 2 3 3 9 6 7 4 11 4 2 2 1 1 1 0 1 2 1 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 46 46 dt 1H J 17 44 | 44 44 q 1H J 16 | 40 39 qd 1H J 40 63 | 35 34 d 1H J 62 | 32 32 dt 1H J 18 115 | 30 28 m 3H | 28 27 m 1H | 19 18 m 2H | 17 15 m 2H | 14 14 s 2H | 14 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6)[nH]5)cc4)cc3)[nH]2)NC1
ir: 2 1 1 2 1 3 4 6 1 5 7 3 6 4 5 2 7 5 8 11 11 9 10 6 8 4 4 6 8 3 5 8 11 8 8 5 9 7 11 8 10 7 7 4 5 3 13 12 6 20 14 5 2 28 32 29 9 18 9 9 7 6 14 4 10 5 9 8 2 15 4 2 2 3 5 4 7 6 6 4 3 2 2 1 3 3 1 2 9 6 1 3 1 2 2 1 4 6 3 2 3 5 2 9 20 21 22 16 19 5 5 8 17 8 18 13 4 13 12 6 7 4 9 10 7 8 11 4 17 5 17 22 22 2 6 10 3 2 3 3 12 15 100 35 8 6 23 7 4 2 3 3 5 2 3 4 2 1 1 1 1 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 1 1 1 1 2 1 1 2 2 4 3 3 7 3 42 36 16 7 4 5 4 7 9 17 45 13 14 8 6 6 5 5 9 9 70 56 9 9 4 4 1 2 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 4H | 76 76 m 4H | 68 67 d 2H J 22 | 66 65 q 1H J 41 | 59 58 m 1H | 48 47 dddp 1H J 10 20 39 49 | 47 46 dt 1H J 30 42 | 45 44 dp 1H J 15 44 | 34 33 ddt 1H J 9 40 150 | 33 32 m 2H | 31 31 m 1H | 23 22 m 1H | 21 19 m 4H | 18 17 t 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(C)n(C2CC2)c1C
ir: 5 4 9 4 0 7 17 10 5 10 11 5 2 6 8 3 0 8 11 4 5 10 8 3 2 7 6 2 2 6 6 2 2 6 6 2 3 8 7 2 3 7 6 1 5 9 14 15 20 10 14 6 6 13 7 4 10 11 7 1 9 12 7 4 11 14 8 3 6 11 8 8 13 14 21 9 11 10 7 7 7 8 5 4 8 10 10 12 8 8 7 7 12 7 2 4 8 6 4 7 11 13 4 6 6 12 5 6 9 7 5 6 12 10 14 26 29 26 10 10 14 11 3 12 14 12 10 14 35 18 9 10 14 15 10 10 8 13 4 6 7 5 4 13 9 7 7 8 6 2 3 7 5 2 3 7 5 1 3 7 5 2 4 7 6 0 25 32 6 5 6 7 4 1 5 8 10 15 14 12 5 2 4 7 3 2 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 6 6 2 4 6 5 4 4 16 14 8 10 9 6 5 11 13 13 6 9 27 17 100 94 36 11 8 12 2 26 9 17 36 13 7 6 8 5 2 5 6 4 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 1 3 6; 1HNMR: 45 44 q 2H J 64 | 42 42 p 1H J 37 | 25 25 s 3H | 24 24 s 3H | 16 16 ddd 2H J 37 73 87 | 14 13 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)c1ccc(-c2ccc(F)cc2)o1
ir: 2 5 0 1 1 3 2 2 3 4 4 10 28 8 4 2 3 1 0 1 1 1 3 13 3 1 0 1 2 0 1 2 5 2 17 5 3 1 1 2 2 1 1 3 2 1 1 9 7 8 3 5 6 8 12 100 8 7 9 3 3 1 1 1 1 1 1 1 1 7 11 3 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 5 7 4 1 1 1 1 1 1 0 1 1 1 1 3 3 2 2 1 1 1 1 1 1 1 1 2 6 4 4 5 5 14 9 8 12 4 2 2 2 2 5 11 3 12 7 1 1 1 1 1 1 1 2 3 10 7 4 6 62 8 2 2 7 2 5 3 3 0 3 2 1 1 1 1 1 4 3 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 1 2 1 1 2 4 13 4 23 42 31 22 18 18 4 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 2H | 74 73 d 1H J 55 | 71 71 m 2H | 68 68 d 1H J 55 | 48 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2NC2C1
ir: 8 5 8 23 11 20 11 5 10 13 29 30 11 6 6 4 4 3 3 3 3 2 3 3 3 4 5 15 6 2 4 7 8 11 11 31 7 72 9 11 5 3 3 3 5 1 2 3 2 0 3 23 35 7 4 5 2 4 3 3 3 5 5 6 11 4 2 3 2 3 3 4 2 2 2 3 2 2 3 2 4 7 31 5 2 3 2 2 3 3 3 5 6 5 27 5 2 4 2 2 3 5 4 3 3 4 4 7 56 49 100 89 15 7 5 25 11 7 15 10 3 11 9 3 4 3 4 3 8 8 7 12 33 12 2 2 2 2 2 2 2 2 3 5 3 3 7 4 3 2 17 49 5 6 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 3 3 6 3 2 3 3 2 3 2 3 3 2 5 15 60 19 6 2 2 3 2 2 2 2 2 2 2 2 2 2 2 4 2 2 15 44 7 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 39 38 d 2H J 112 | 36 35 d 2H J 112 | 32 32 d 2H J 55 | 15 15 t 1H J 55 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nnc[nH]2)cc1Nc1nc(S(C)(=O)=O)nc(N(C)CC(C)(C)C)c1C#N
ir: 5 5 5 5 5 7 6 9 8 7 11 7 8 6 5 5 6 4 6 6 7 8 6 6 4 5 7 21 10 8 6 5 5 11 19 13 9 11 6 5 5 5 5 6 13 57 8 6 5 6 8 13 13 10 9 5 5 7 5 7 5 6 7 6 5 5 6 6 15 11 6 5 5 5 5 5 5 4 4 5 5 5 9 8 5 44 5 5 6 6 7 10 9 10 6 5 5 5 5 5 7 5 11 9 14 6 5 5 5 6 5 5 4 5 5 5 7 6 7 17 10 8 6 7 6 6 6 5 5 5 5 6 4 5 5 5 5 11 7 7 12 9 9 7 5 10 30 12 31 7 23 10 14 6 5 20 13 0 100 22 3 10 5 2 4 6 5 5 4 5 4 3 4 5 4 4 4 5 4 4 4 4 12 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 6 6 4 4 4 4 4 4 4 5 5 5 7 8 8 10 13 14 9 6 5 5 5 4 5 4 4 4 4 5 5 5 4 5 5 5 6 6 12 14 21 17 40 31 10 6 6 5 6 5 5 5 5 6 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 86 86 d 1H J 42 | 86 86 s 1H | 78 78 dd 1H J 21 87 | 77 76 d 1H J 21 | 73 73 dq 1H J 10 87 | 35 34 s 3H | 34 34 s 2H | 32 32 s 3H | 23 23 d 3H J 9 | 10 9 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COC(=O)Cc2cccc(Br)c2)cc1
ir: 2 3 6 4 2 3 7 3 1 4 3 5 11 7 2 2 3 7 2 1 2 4 1 1 1 6 1 1 2 2 6 9 3 3 10 6 8 4 2 0 1 1 2 2 5 8 44 5 17 7 16 53 28 45 33 10 13 15 3 5 3 0 4 3 4 2 8 32 19 11 4 1 1 1 1 0 3 1 3 2 2 2 5 3 11 16 4 21 7 3 8 1 2 4 9 11 3 29 49 9 5 12 23 8 5 1 1 1 1 1 0 1 1 2 2 2 4 2 13 17 8 4 8 7 16 12 5 7 4 9 6 3 2 2 2 0 1 4 7 12 7 2 6 10 97 4 10 33 41 9 3 10 16 7 24 4 2 0 1 14 1 0 4 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 17 3 2 1 4 5 3 14 27 29 36 100 23 18 7 6 2 5 4 4 3 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 tt 1H J 9 20 | 74 73 m 1H | 73 73 dt 2H J 8 81 | 73 72 m 2H | 69 69 m 2H | 52 52 t 2H J 9 | 38 38 s 2H | 36 36 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C)cc1
ir: 2 1 0 4 5 10 3 5 2 3 12 11 16 33 22 3 0 2 2 1 1 2 1 2 13 8 2 3 2 3 5 8 13 15 3 3 2 2 2 1 6 12 18 3 2 2 2 4 15 3 2 1 3 44 4 2 3 2 3 2 2 2 9 16 6 5 2 3 2 10 4 3 2 4 4 3 2 1 3 14 22 47 12 23 68 5 3 6 65 10 7 100 10 8 37 6 6 4 6 4 4 5 2 3 2 2 2 2 3 2 1 2 1 1 1 1 2 2 3 4 5 3 3 7 9 9 8 3 5 2 2 3 5 3 2 2 1 3 10 4 3 18 1 2 2 1 18 11 3 20 2 1 6 2 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 6 6 3 2 12 7 6 28 78 18 6 4 1 3 5 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 2H | 75 74 m 2H | 72 71 m 3H | 71 70 ddq 1H J 8 17 73 | 47 46 dd 1H J 7 144 | 46 45 dd 1H J 6 143 | 36 35 pd 1H J 58 86 | 29 29 ddd 1H J 8 58 130 | 27 26 ddd 1H J 9 85 130 | 24 24 d 3H J 9 | 12 12 d 2H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(Nc2ccc(Oc3ncccc3C3CCCOCC3)cc2)nc1
ir: 1 2 1 3 6 10 7 1 1 2 6 7 1 2 4 4 4 2 5 5 15 31 8 5 3 2 2 2 2 3 3 2 2 12 17 5 5 13 23 44 13 14 17 19 9 1 3 3 2 3 3 2 2 5 11 16 27 21 2 1 2 1 12 1 5 3 3 2 2 15 6 3 6 9 3 1 1 2 1 10 4 5 3 2 6 5 4 3 1 1 3 3 3 9 2 10 4 2 1 3 4 5 2 6 15 5 3 5 4 2 2 4 3 2 1 2 2 1 0 3 2 3 1 4 6 5 1 2 2 1 14 40 26 8 5 10 35 4 4 1 0 2 2 19 7 30 68 6 5 13 26 100 22 12 79 19 3 7 39 5 2 2 1 34 6 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 2 2 2 2 2 1 1 1 2 4 6 10 35 27 39 14 6 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 3 7 2 6 7 19 46 55 21 5 3 3 3 4 4 3 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 s 1H | 83 82 dd 1H J 21 41 | 81 81 dd 1H J 17 43 | 76 76 td 1H J 17 73 | 75 74 m 1H | 73 72 m 4H | 70 70 m 2H | 68 67 ddd 1H J 15 44 71 | 38 37 ddd 1H J 60 68 112 | 36 36 dt 1H J 63 112 | 36 34 m 2H | 31 30 m 1H | 22 21 m 1H | 20 19 m 2H | 18 17 m 2H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=COCC1CCN(C(=O)OC(C)(C)C)CC1
ir: 10 5 4 8 13 37 7 4 5 21 24 40 15 11 10 5 5 4 2 5 3 2 4 1 2 1 2 2 5 7 2 1 0 2 1 1 0 1 2 0 1 3 2 1 0 1 1 0 0 1 1 0 0 2 3 9 4 5 4 4 2 7 7 7 7 10 7 5 11 62 46 19 13 7 13 4 2 2 5 5 2 2 2 3 3 4 5 2 2 3 4 2 3 1 19 22 30 4 3 2 1 4 7 13 12 8 15 15 9 2 5 3 5 6 10 5 5 8 11 17 15 7 28 29 8 10 5 6 3 17 8 17 7 3 6 6 15 11 28 29 21 9 3 6 2 1 1 3 2 4 7 61 8 2 1 1 3 1 2 2 6 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 1 0 0 0 1 1 0 1 1 1 1 1 2 2 3 6 6 4 4 4 5 5 2 4 8 21 9 4 25 100 31 16 3 12 5 4 12 37 9 4 1 1 3 1 2 2 3 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 65 64 ddt 1H J 9 97 148 | 41 40 m 2H | 38 38 dd 2H J 9 38 | 38 37 ddd 2H J 55 85 120 | 34 33 ddd 2H J 57 82 121 | 20 19 m 3H | 18 17 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(N=C=O)cc(Cl)c1OCCCC#N
ir: 4 4 4 5 5 4 4 5 5 7 4 6 6 7 4 4 8 4 3 4 4 4 5 4 4 5 5 4 3 3 4 3 3 3 5 3 5 3 3 4 5 6 4 5 6 4 3 5 4 9 6 3 4 3 4 5 5 6 7 4 5 4 4 3 4 4 8 22 16 7 7 5 4 3 4 3 3 5 4 6 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 4 4 4 3 4 3 3 2 3 3 3 3 6 4 3 3 3 4 4 5 4 4 5 4 4 5 3 3 3 4 3 3 3 3 3 2 2 2 2 2 3 4 5 3 3 3 2 2 2 2 3 7 3 2 2 2 2 2 3 6 4 3 2 3 3 14 3 3 3 3 2 2 2 2 3 2 2 2 3 2 2 2 3 2 6 3 3 3 1 3 5 3 0 10 100 6 9 3 1 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 4 4 4 3 3 3 3 3 4 11 6 4 11 30 8 10 3 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 72 72 d 1H J 22 | 70 69 dt 1H J 9 20 | 45 45 d 2H J 9 | 41 40 t 2H J 61 | 39 39 s 2H | 26 26 t 2H J 62 | 22 21 p 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC1=C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C(C(=O)OC)C(C)=C1
ir: 4 17 4 5 1 6 4 3 1 1 1 2 3 3 3 7 6 6 2 1 1 2 4 6 5 2 4 2 3 1 7 3 2 6 17 15 2 7 3 7 10 11 8 4 3 10 14 2 7 6 4 1 3 38 17 3 7 8 5 1 1 2 2 2 4 2 1 4 3 2 3 2 3 8 7 4 4 2 1 2 2 1 1 1 1 2 3 5 4 3 2 2 2 3 4 1 6 4 8 16 48 3 1 2 3 1 1 1 1 4 3 16 100 11 2 6 1 10 7 6 13 4 6 8 17 20 6 5 2 2 1 2 2 6 2 5 3 13 42 35 3 5 6 4 44 6 1 6 34 16 4 3 3 2 2 3 62 25 2 4 56 2 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 1 1 1 1 1 3 3 1 5 5 3 2 8 6 13 11 4 4 1 2 2 2 1 1 1 2 1 1 1 1 2 1 4 1 10 6 8 6 14 9 36 28 20 4 2 2 2 2 3 2 3 1 1 4 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dq 2H J 14 77 | 75 74 q 1H J 53 | 74 73 m 2H | 68 67 h 1H J 13 | 45 44 dd 1H J 11 101 | 37 37 dp 1H J 16 101 | 37 37 d 6H J 49 | 30 29 d 3H J 55 | 20 20 t 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccnc1N
ir: 8 11 5 11 15 27 22 20 26 23 23 18 12 16 19 23 41 32 45 52 17 20 12 24 9 19 11 16 12 10 7 6 10 8 8 8 15 36 37 60 45 17 31 22 19 15 15 8 12 15 7 7 8 11 8 9 6 9 8 8 13 25 18 10 9 10 9 13 10 12 9 10 7 11 6 7 5 7 6 8 5 7 6 6 4 4 5 7 4 23 20 5 5 6 5 5 6 7 8 4 5 5 5 4 4 5 5 5 4 5 10 8 4 6 7 5 4 5 5 4 4 6 6 19 13 8 8 6 12 15 10 14 29 35 40 59 79 24 48 42 64 11 13 25 52 43 66 29 20 10 9 11 10 7 12 26 32 25 8 7 6 6 4 4 4 3 4 5 4 3 4 4 4 3 4 5 4 4 4 4 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 4 4 5 4 4 4 5 4 3 4 4 4 3 4 5 5 4 4 5 5 4 5 5 5 6 5 8 8 13 13 14 10 5 8 7 6 3 5 6 6 6 7 7 8 9 12 15 28 16 22 13 27 55 53 61 31 28 33 100 16 60 1 2 10 7 0 3 8 5 1 3 7 5 2 4 6 5 2 4 5 4 2 4 5 4 2 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 80 80 dd 1H J 22 38 | 71 70 dd 1H J 21 78 | 70 70 dd 1H J 39 78 | 57 57 m 3H | 31 30 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(C)=C/Cn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O
ir: 2 4 9 3 2 2 2 2 3 2 2 7 3 5 7 3 9 4 5 6 3 2 2 1 2 3 3 7 2 2 1 1 1 1 1 1 1 0 1 1 1 2 2 1 2 1 2 5 6 20 12 6 7 5 3 1 1 2 1 2 2 1 2 4 3 4 4 8 2 3 3 2 3 2 2 0 2 1 1 0 1 1 0 1 1 2 8 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 5 3 1 1 1 4 1 3 6 6 8 8 1 4 5 4 6 21 6 6 3 2 12 4 7 8 11 12 5 6 2 2 1 1 5 4 4 13 3 2 1 1 5 5 4 3 0 0 1 5 63 4 2 1 1 4 100 1 1 1 0 0 0 3 3 4 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 1 2 2 1 2 3 6 10 8 3 15 13 2 2 1 0 0 1 0 0 0 0 0 1 0 0 1 1 1 1 2 2 4 5 13 32 13 9 1 1 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 122 | 72 71 d 1H J 42 | 68 67 tq 1H J 14 53 | 53 52 dd 1H J 39 87 | 48 47 dq 2H J 10 55 | 44 44 p 1H J 52 | 42 41 q 2H J 71 | 34 33 dt 1H J 48 87 | 22 21 m 2H | 20 18 m 7H | 18 17 m 2H | 17 14 m 11H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)OC(=O)C(c2c(F)cc(F)cc2F)=C1c1ccc(Cl)nc1
ir: 5 8 7 11 5 4 2 8 6 4 3 5 10 3 5 10 13 6 2 3 4 2 1 2 2 2 2 3 3 3 4 4 3 5 20 4 8 3 2 3 3 2 4 8 5 2 3 5 3 1 6 14 16 8 8 3 2 2 2 2 2 5 4 6 10 31 48 28 6 13 4 5 4 4 3 5 14 32 13 8 5 4 4 3 2 2 3 3 3 3 4 4 1 2 4 6 6 6 6 4 4 4 13 35 6 8 19 5 1 2 3 2 1 2 4 10 6 5 4 3 2 4 4 3 2 3 7 7 13 3 3 6 70 5 5 12 6 3 3 1 1 3 3 5 5 4 4 1 12 37 6 2 3 6 10 8 2 2 3 3 20 2 26 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 5 5 7 1 2 3 2 1 2 3 2 1 2 4 4 5 12 40 37 9 6 4 4 3 5 5 100 20 6 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 3 4 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 d 1H J 20 | 78 77 dd 1H J 20 81 | 74 73 d 1H J 81 | 69 68 ddd 2H J 9 114 123 | 59 59 s 1H | 17 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(C)=O)c(C(=O)c2cccnc2)c1
ir: 2 1 6 11 7 4 3 4 4 2 12 24 8 5 2 4 3 3 5 2 3 3 8 1 1 1 2 3 2 1 3 7 4 12 44 9 10 53 4 1 1 1 3 16 4 12 1 0 1 2 2 2 3 5 21 42 6 18 4 3 4 11 8 43 3 4 24 12 4 19 8 45 3 0 2 2 1 2 8 4 4 1 2 1 2 1 2 4 1 1 2 5 5 3 4 3 1 2 1 1 0 1 1 1 1 3 9 1 0 1 3 2 1 25 15 7 3 16 12 8 2 9 17 56 43 7 2 6 4 6 2 1 1 1 0 1 1 2 7 23 15 37 19 17 12 26 8 4 2 7 11 5 6 32 4 8 1 1 1 8 25 3 14 1 1 1 0 0 0 0 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 3 6 2 3 3 1 1 5 0 2 1 2 1 3 14 30 6 7 100 35 6 4 3 2 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 t 1H J 18 | 88 88 ddd 1H J 16 26 48 | 82 81 ddd 1H J 18 26 77 | 77 77 dd 1H J 49 76 | 74 73 dt 1H J 9 85 | 73 72 d 1H J 27 | 70 70 dd 1H J 27 85 | 38 38 s 3H | 37 37 d 2H J 9 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NC(=O)NCCCN2Cc3ccccc3CC2Cc2ccc(F)cc2)c1
ir: 3 2 3 10 10 4 1 2 8 6 3 5 3 4 6 3 5 3 4 2 1 3 3 5 4 8 7 5 6 5 4 4 4 6 8 7 6 6 7 24 37 80 66 12 9 10 44 48 4 16 16 2 4 9 4 18 11 9 3 1 3 5 2 3 6 6 8 16 22 8 7 3 6 4 2 5 3 2 2 5 14 14 4 4 1 1 10 4 12 11 8 6 8 4 3 3 8 8 4 7 6 11 13 23 5 3 2 3 4 6 2 2 4 1 2 1 2 2 3 3 3 4 5 3 6 8 3 4 2 3 0 2 3 2 2 2 5 10 44 8 6 13 2 3 2 8 5 49 16 32 61 29 11 3 6 3 37 12 6 9 3 3 8 29 8 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 0 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 3 3 1 3 2 3 3 2 5 10 17 7 52 88 42 17 3 4 5 3 2 2 1 3 2 2 1 2 1 2 3 3 2 2 3 4 17 32 100 15 7 1 2 1 1 1 3 2 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 74 73 ddd 1H J 12 22 81 | 72 71 m 8H | 71 70 m 3H | 69 69 ddd 1H J 12 21 77 | 69 68 t 1H J 49 | 43 42 dd 1H J 8 137 | 41 41 dd 1H J 8 136 | 38 38 s 2H | 33 32 p 1H J 69 | 32 32 td 2H J 49 60 | 30 29 m 2H | 27 26 m 3H | 26 25 dt 1H J 60 130 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)CN(C)C)cc1NC(=O)OC(C)(C)C
ir: 4 7 4 2 2 2 6 3 3 5 1 10 7 3 3 2 2 3 3 4 4 2 2 3 4 1 2 2 1 3 3 5 12 7 9 10 16 41 14 13 16 7 6 3 2 1 1 3 5 3 7 4 3 5 7 21 10 2 2 3 2 3 3 10 8 12 13 26 14 2 1 3 1 1 1 1 1 2 5 1 1 1 1 2 2 1 9 11 10 5 4 12 12 5 3 3 1 2 7 5 15 2 2 3 7 8 12 20 2 2 2 1 0 1 1 1 1 3 7 6 1 4 3 1 2 4 3 5 2 7 5 3 2 3 1 0 7 40 4 4 1 2 1 3 2 8 52 27 35 16 6 5 12 19 7 5 53 4 2 1 1 1 1 1 7 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 1 1 1 2 1 0 1 2 1 1 4 11 13 3 7 29 19 5 4 2 2 0 1 1 1 2 1 2 1 1 1 2 1 1 3 3 1 9 8 16 100 14 5 4 1 1 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 92 92 s 1H | 74 73 dd 1H J 22 84 | 72 72 d 1H J 22 | 70 69 d 1H J 84 | 69 69 s 1H | 39 39 s 3H | 35 34 s 2H | 26 26 s 6H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N2CCN(C3CCOCC3)CC2)c(F)c1
ir: 12 11 14 13 15 8 6 12 7 12 7 4 4 4 5 6 8 3 5 9 5 5 3 6 4 4 6 5 7 7 16 12 6 6 5 5 8 4 5 7 4 5 3 4 3 2 4 5 3 1 2 5 4 6 18 17 7 2 5 6 9 5 4 5 4 4 8 13 15 6 4 2 3 10 5 10 3 13 9 27 14 7 10 14 16 12 5 7 19 14 13 13 6 4 9 7 3 4 3 7 5 5 3 3 3 4 3 2 12 3 2 4 4 2 3 3 3 2 2 2 2 2 2 2 3 2 3 3 3 4 4 2 1 2 2 3 5 10 4 3 2 2 2 1 2 10 4 2 2 3 1 6 12 13 16 53 34 22 5 0 1 5 5 2 10 1 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 4 3 2 2 3 2 3 4 11 9 3 22 25 22 11 4 4 2 2 2 3 2 1 2 2 1 1 2 2 2 10 100 6 3 2 2 2 1 1 2 6 27 57 66 17 10 3 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 3 2 3 6 3 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 69 68 dd 1H J 47 83 | 66 66 dd 1H J 22 83 | 65 64 dd 1H J 22 121 | 44 44 s 2H | 37 37 ddd 2H J 38 65 110 | 35 35 ddd 2H J 38 65 110 | 34 33 m 4H | 28 27 m 5H | 19 18 dtd 2H J 37 63 128 | 17 16 dtd 2H J 38 63 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)COc2cc3c(cc21)OCC31C(=O)N(C[C@H]2CCCO2)c2ccccc21
ir: 3 1 1 2 8 8 14 1 1 1 5 1 3 1 2 2 0 1 3 1 6 13 3 9 3 1 2 7 1 1 1 1 1 7 21 3 7 3 15 4 2 1 40 35 8 2 2 4 1 1 1 4 1 1 1 5 1 8 1 4 4 3 2 8 2 2 11 16 20 22 8 5 7 1 3 14 19 2 1 1 1 1 2 2 6 7 1 2 5 2 3 2 1 1 1 1 1 2 1 1 1 1 2 6 4 2 4 5 6 6 3 5 2 3 6 3 4 2 1 3 7 11 10 6 5 6 3 3 18 7 6 1 2 1 2 2 2 1 3 1 1 2 3 3 1 0 2 2 21 6 49 96 6 32 3 1 0 2 1 3 1 1 1 19 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 2 0 1 3 3 1 2 4 2 1 4 7 16 7 9 100 20 6 2 0 4 2 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 1H | 73 72 m 2H | 71 71 m 1H | 70 70 s 1H | 69 69 s 1H | 51 50 d 1H J 114 | 48 48 d 1H J 115 | 48 47 s 2H | 44 43 dd 1H J 31 120 | 43 42 dtp 1H J 16 34 49 | 41 41 dd 1H J 32 122 | 38 38 m 1H | 37 37 dtd 1H J 15 36 114 | 36 35 s 2H | 21 20 dddd 1H J 31 66 91 150 | 20 19 ddddt 1H J 16 31 49 81 148 | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2c(O)c(=O)nc(CC3(c4cccc5ccccc45)CCCC3)n2CCN1C1CCOCC1
ir: 6 5 12 10 3 5 9 5 3 5 11 5 7 19 15 13 7 29 100 31 5 7 34 27 10 9 8 4 9 12 18 4 5 14 7 3 5 6 6 3 4 7 36 27 5 32 25 0 8 15 16 25 8 9 4 0 8 9 8 1 8 10 7 7 8 9 4 1 6 11 4 8 10 12 7 19 40 10 18 5 9 6 4 3 11 10 4 3 6 7 6 23 33 9 7 13 21 61 19 16 21 9 5 6 19 27 6 12 7 10 5 8 10 10 12 12 10 8 6 7 38 17 25 13 14 20 6 16 11 14 5 8 12 5 2 9 22 6 8 15 11 16 25 30 25 18 28 14 33 20 5 10 10 13 10 12 9 8 9 17 6 4 4 8 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 1 5 7 3 1 5 7 3 2 5 6 3 2 6 6 3 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 2 3 7 5 1 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 5 6 7 4 1 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 3 2 6 5 3 3 6 5 2 3 7 5 2 3 7 5 2 4 8 9 6 10 8 6 1 7 8 10 8 17 17 37 18 33 10 14 15 11 19 31 85 9 11 4 5 5 7 4 3 5 6 3 2 5 6 3 3 5 6 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 6 4 2 4 7 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 5 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 93 92 s 1H | 81 80 m 1H | 80 79 ddt 2H J 15 74 101 | 76 75 m 2H | 75 74 m 1H | 74 73 dd 1H J 12 77 | 42 42 m 2H | 39 38 p 1H J 65 | 37 36 m 4H | 35 35 ddd 2H J 38 65 110 | 26 26 s 2H | 21 20 m 4H | 20 19 m 2H | 19 17 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(CBr)C(Cl)C(=O)N1c1ccccc1
ir: 1 3 5 4 9 10 15 3 1 4 15 6 2 4 6 3 1 4 4 3 3 10 5 3 1 4 5 2 1 8 9 8 15 19 20 3 16 7 8 0 74 100 11 4 4 6 10 7 3 4 3 1 2 4 3 5 8 4 4 5 8 6 4 5 6 7 2 1 15 13 4 3 7 9 5 5 5 10 3 2 4 5 9 19 11 4 2 2 6 6 1 2 4 3 4 5 7 7 4 13 10 8 4 4 5 4 0 2 4 3 1 3 5 4 4 13 11 12 18 40 12 16 5 4 5 4 2 4 13 8 4 7 7 9 19 39 8 2 0 5 5 1 5 32 60 15 6 4 6 64 59 10 6 3 2 4 3 1 2 9 3 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 4 1 2 5 5 3 5 7 4 11 15 11 6 4 16 20 20 41 21 9 5 4 5 4 2 2 3 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 74 m 4H | 74 73 m 1H | 49 49 d 1H J 24 | 38 38 q 1H J 19 | 38 37 dd 1H J 18 106 | 35 35 dd 1H J 18 106 | 35 34 dq 1H J 75 119 | 33 32 dq 1H J 76 117 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CC(=O)O)ccc1F
ir: 1 1 3 3 3 6 5 11 14 30 39 15 7 4 3 4 6 9 13 13 46 100 83 78 26 30 4 5 3 3 1 2 2 3 2 2 3 1 3 2 3 1 3 5 7 16 8 7 9 3 4 5 2 6 7 18 6 5 2 1 1 1 1 1 1 6 2 1 38 4 3 3 2 0 3 5 10 10 36 22 13 6 3 2 3 15 9 12 11 13 5 3 4 3 2 2 6 6 4 3 3 1 2 18 2 1 1 1 1 1 1 1 1 1 1 2 1 3 4 4 18 9 2 2 3 2 4 4 3 3 4 3 2 1 1 1 2 1 2 3 5 6 30 45 24 11 4 4 4 69 4 1 5 6 6 0 1 1 1 0 0 8 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 9 1 1 1 1 1 3 8 4 11 14 46 28 6 3 5 2 1 4 2 18 18 5 3 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 71 70 m 2H | 69 68 m 1H | 39 39 s 3H | 36 35 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C#N)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1
ir: 6 4 6 5 2 1 1 2 1 3 4 3 1 1 1 1 2 3 5 3 2 1 3 1 1 1 2 5 5 4 4 6 2 8 2 2 3 3 3 3 32 10 19 9 17 10 4 20 39 5 2 1 1 1 1 2 2 2 1 1 2 1 2 1 3 1 4 3 5 13 2 1 3 7 8 24 3 1 5 1 1 1 1 1 1 3 2 1 1 2 2 4 1 1 1 1 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 6 1 4 4 1 3 3 3 3 1 2 1 2 1 1 2 12 17 9 14 5 11 2 13 4 2 3 5 32 1 4 35 5 4 4 2 3 7 5 35 54 5 3 2 2 0 3 9 17 5 16 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 2 4 11 22 100 36 0 12 3 6 3 1 1 2 1 2 1 1 1 1 2 1 2 2 10 4 1 3 9 32 14 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 s 1H | 78 78 m 2H | 77 76 m 2H | 76 75 m 1H | 75 74 m 3H | 73 72 m 2H | 68 68 s 1H | 18 18 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C(=O)O)N(CC)S(=O)(=O)c1cccc(F)c1
ir: 1 1 1 1 1 1 5 1 1 2 5 2 3 3 6 4 17 10 3 3 15 12 100 8 2 1 1 1 2 1 3 13 3 3 1 1 1 0 0 1 1 1 1 1 3 1 1 6 2 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 5 6 1 2 4 2 2 2 5 5 2 2 4 16 50 6 3 6 5 2 11 5 16 33 38 4 2 1 1 1 1 3 7 1 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 4 13 21 3 1 1 6 2 2 1 1 1 0 0 1 1 5 6 2 1 0 0 1 1 1 10 3 1 1 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 2 1 1 2 2 0 5 22 5 3 2 2 7 4 1 2 4 11 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 ddd 1H J 11 22 85 | 76 75 m 2H | 72 71 dddd 1H J 11 21 77 99 | 53 52 d 1H J 7 | 51 50 d 1H J 7 | 36 35 q 2H J 92 | 13 12 t 3H J 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)CC(=O)c1ccccc1Cl
ir: 9 5 13 49 47 10 10 4 3 2 2 2 2 2 4 3 3 2 2 3 6 7 3 3 3 2 9 8 3 2 2 3 3 3 3 4 8 21 12 5 5 2 67 59 13 8 13 4 4 3 7 9 4 1 2 4 2 4 8 2 4 2 2 3 2 4 6 4 6 41 17 4 4 5 7 10 6 2 3 4 5 4 6 5 10 23 69 86 47 8 6 4 2 3 11 20 10 3 4 7 8 4 10 25 67 96 20 63 52 7 4 3 3 3 6 8 27 5 5 5 7 8 13 16 8 25 28 17 4 7 4 3 5 19 12 17 5 18 13 17 20 19 13 9 18 22 9 35 33 13 4 3 3 2 3 4 3 3 8 8 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 6 3 5 12 16 21 2 2 4 4 0 6 21 60 100 37 52 60 14 5 4 3 3 3 2 2 3 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 78 dd 1H J 20 74 | 75 75 dd 1H J 18 76 | 74 73 m 2H | 53 53 s 2H | 31 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(c1ccccc1)(c1ccccc1)C1CCCN(CCc2ccc(O)cc2)C1
ir: 4 2 3 1 3 1 1 1 1 2 2 2 1 2 1 2 7 3 6 4 4 3 2 1 0 1 1 1 1 1 5 14 7 2 3 5 1 3 3 5 12 13 20 6 1 2 1 1 1 4 4 15 6 5 4 12 3 2 2 3 1 1 1 0 1 1 3 3 2 5 3 11 1 3 2 1 8 3 3 17 8 12 6 4 3 21 8 2 5 21 2 1 1 1 0 1 2 1 1 1 4 3 1 1 2 2 3 1 1 1 1 2 1 3 2 5 6 3 3 3 3 1 1 1 2 2 1 1 1 1 0 1 2 2 3 27 3 1 2 1 0 1 1 3 8 5 5 7 6 3 2 0 7 3 5 2 0 1 0 0 0 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 0 0 2 1 2 1 1 1 1 1 1 4 3 6 11 14 100 32 4 4 3 5 4 14 32 12 7 2 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 10H | 70 70 dd 2H J 11 84 | 68 67 m 2H | 65 65 s 1H | 31 30 dd 1H J 51 110 | 28 27 m 6H | 27 25 m 2H | 19 18 m 2H | 17 16 m 1H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCOCc1nn(Cc2ccccc2)c2ccccc12
ir: 9 5 8 12 7 5 6 6 17 16 12 13 35 13 2 23 9 5 3 3 4 5 4 3 4 3 3 1 7 4 4 28 5 3 7 5 4 3 4 15 14 1 23 23 8 3 3 8 1 1 1 0 1 1 1 1 1 0 1 1 1 0 4 2 7 1 3 5 13 28 1 9 6 3 3 4 5 3 2 1 2 1 1 3 3 2 1 3 6 28 100 8 5 71 3 3 2 1 8 3 2 2 1 1 2 2 1 1 1 1 0 5 2 2 2 1 1 2 1 2 6 4 2 2 1 4 3 3 9 34 6 2 2 2 2 5 2 1 1 1 1 11 8 5 12 3 5 7 2 0 0 8 2 1 1 1 1 0 0 1 1 2 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 4 4 6 15 27 44 14 7 3 6 37 32 10 6 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 m 1H | 74 74 m 1H | 73 72 m 5H | 72 71 m 2H | 55 55 d 2H J 10 | 48 47 s 2H | 37 36 td 4H J 51 63 | 26 26 m 1H | 19 18 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1CCC(C(=O)Cl)CC1
ir: 2 9 14 6 2 3 6 5 6 3 2 3 3 4 3 1 1 2 3 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 1 1 2 3 5 0 11 4 3 1 2 5 8 3 9 12 2 1 2 7 12 4 5 11 3 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 6 2 1 2 2 1 2 3 2 1 1 3 2 3 2 4 3 6 5 6 17 13 6 10 17 100 35 15 9 7 4 5 2 6 6 8 7 8 11 9 4 4 6 8 6 9 8 10 10 7 12 10 17 16 10 4 2 2 3 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 2 5 8 7 13 7 6 4 4 7 14 14 15 33 18 6 3 3 3 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 26 26 p 1H J 43 | 20 18 m 2H | 17 16 m 4H | 15 14 m 2H | 13 12 dtddt 1H J 15 30 57 72 88 | 9 8 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@@H](C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C)n2)c1
ir: 0 1 1 1 2 1 1 2 1 4 11 4 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 7 4 3 1 2 1 1 2 1 2 11 6 28 15 3 0 2 4 2 9 7 1 2 7 30 10 7 4 3 2 3 3 3 2 10 1 2 7 7 15 10 11 11 1 4 2 1 5 3 3 4 2 7 7 2 2 2 1 2 2 3 10 1 1 1 1 0 2 4 3 4 2 2 1 1 1 1 2 2 3 1 1 2 4 3 1 0 1 1 2 1 2 2 1 1 1 2 2 1 3 2 3 4 1 2 1 6 3 3 1 0 1 1 0 10 9 5 2 11 17 4 5 43 15 11 29 2 2 6 67 16 5 3 21 4 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 2 3 1 1 2 4 13 4 11 100 35 15 8 6 6 2 1 0 1 1 0 0 1 1 1 0 1 1 1 2 2 4 9 27 4 6 3 2 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 74 74 m 2H | 74 73 m 2H | 73 73 m 2H | 72 71 t 1H J 22 | 71 71 t 1H J 23 | 66 66 t 1H J 23 | 62 62 d 1H J 31 | 50 50 m 2H | 46 45 qt 1H J 42 62 | 39 38 d 3H J 7 | 36 35 dd 1H J 44 115 | 34 34 s 2H | 34 33 dd 1H J 44 114 | 14 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCO[C@@H](C)C(=O)OC
ir: 4 3 2 6 5 3 3 7 19 7 6 5 8 4 13 10 4 4 2 3 3 1 1 3 3 2 5 6 7 4 2 3 3 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 5 2 3 6 5 2 6 7 5 5 5 4 6 9 10 15 14 7 8 16 6 15 11 11 6 24 8 12 8 31 17 16 2 3 3 3 1 2 3 2 1 2 3 6 5 13 6 3 1 3 3 2 1 2 3 3 2 6 7 7 7 4 6 3 3 4 5 3 3 4 6 9 7 13 21 10 4 7 3 2 1 2 2 2 2 2 3 4 5 4 6 30 7 100 7 6 1 4 3 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 4 3 4 5 2 1 3 3 2 1 4 3 6 5 5 14 19 6 4 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 46 46 d 1H J 33 | 45 45 d 1H J 31 | 43 43 q 1H J 60 | 37 37 s 3H | 33 33 s 3H | 14 14 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
ir: 6 7 2 2 2 5 3 4 1 2 3 4 32 10 4 3 4 11 3 1 2 1 5 12 43 33 24 6 6 5 53 10 2 6 3 1 1 2 1 0 3 31 0 3 2 2 2 3 1 1 1 1 1 2 2 3 4 2 1 0 1 2 3 4 11 7 7 6 12 17 11 12 9 9 6 3 4 16 6 9 13 8 1 3 1 1 1 1 1 1 1 0 1 1 0 2 5 4 11 15 4 6 9 9 4 3 8 6 3 2 1 5 6 6 4 38 22 4 5 1 3 3 11 39 16 6 2 4 2 1 2 1 1 1 35 1 1 2 1 1 3 3 30 100 35 29 70 8 2 1 1 1 1 1 0 1 0 0 0 1 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 3 1 3 1 3 6 3 4 5 10 4 11 19 30 34 46 9 3 2 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 4H | 76 75 m 2H | 75 74 m 4H | 63 63 dt 1H J 11 51 | 57 57 ttd 1H J 8 18 63 | 56 56 ddd 1H J 8 52 61 | 45 44 dtt 1H J 10 44 60 | 38 37 ddd 1H J 18 46 115 | 36 35 ddd 1H J 18 46 117 | 34 33 s 2H | 21 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C2CN(Cc3ccccc3)CCO2)OCCO1
ir: 9 4 4 13 14 5 2 1 2 1 11 6 20 27 7 2 0 5 7 8 25 4 5 21 23 3 72 5 2 1 4 9 31 45 3 5 3 2 4 22 61 64 4 14 10 2 19 2 1 2 6 16 3 2 16 5 3 14 16 5 10 4 9 19 10 5 22 12 64 52 6 34 8 1 34 21 12 8 9 3 6 23 35 29 20 9 5 6 14 25 2 4 1 1 9 7 15 20 18 21 17 15 11 29 15 9 3 4 3 7 3 26 6 4 5 3 1 3 3 2 3 3 3 6 4 6 10 22 15 13 10 6 3 7 35 56 5 2 1 2 2 2 35 42 16 2 4 4 1 0 0 7 7 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 3 3 2 2 6 7 5 7 4 5 5 9 8 20 56 22 37 100 31 14 9 2 2 3 3 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 40 39 m 2H | 39 38 m 4H | 38 37 ddd 1H J 24 51 103 | 37 36 d 1H J 126 | 36 36 d 1H J 126 | 34 33 dd 1H J 49 122 | 31 31 dd 1H J 49 122 | 28 27 ddd 1H J 24 51 124 | 26 25 ddd 1H J 24 51 126 | 14 13 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C=C/C(=O)/C=C/c1ccc(F)cc1
ir: 0 0 0 0 0 0 2 0 0 0 0 1 0 4 2 0 0 0 0 1 0 0 6 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 3 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 4 8 1 0 1 9 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 5 2 11 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 3 2 2 1 1 0 0 0 1 1 100 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 4H | 72 71 m 2H | 71 71 dd 1H J 13 169 | 70 70 dd 1H J 15 161 | 68 67 d 1H J 168
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(NC(=O)C(C(=O)O)c2ccccc2)c(OC)c1
ir: 1 1 1 1 1 1 1 1 1 2 3 5 9 6 5 4 2 4 2 12 24 23 9 13 7 8 17 6 2 3 4 3 3 4 3 5 5 4 8 7 5 21 3 1 4 9 2 2 2 1 1 1 1 1 1 4 3 1 2 4 1 1 2 2 2 5 15 10 8 9 4 2 4 2 2 2 5 5 10 15 11 3 2 3 4 2 1 1 2 12 6 2 2 2 1 1 3 4 2 2 1 1 2 3 2 3 1 1 1 1 1 1 3 4 3 2 3 2 2 4 3 1 1 1 1 2 1 1 1 1 1 2 4 3 4 10 2 2 1 2 1 2 5 6 14 27 11 9 14 12 11 9 3 3 1 2 5 4 1 2 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 3 5 6 24 15 7 5 4 2 0 2 4 52 100 7 0 2 2 1 1 1 2 1 1 1 5 8 10 10 6 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 92 92 s 1H | 74 73 m 3H | 74 73 m 2H | 72 72 m 1H | 63 63 s 2H | 49 49 d 1H J 9 | 39 39 s 5H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C#N)=C(C)c1ccc(F)cc1OC
ir: 1 3 10 11 12 6 20 4 6 10 13 9 10 5 5 3 2 4 13 8 3 4 5 1 1 3 3 2 1 3 3 1 1 3 3 3 2 6 4 3 3 5 4 9 6 6 11 9 3 4 3 1 4 13 7 10 6 7 3 1 4 5 4 3 5 6 17 14 16 8 6 4 5 8 3 5 4 4 2 1 3 3 3 6 11 3 2 5 3 3 2 2 4 11 8 2 3 3 1 2 3 2 1 2 3 2 1 2 4 4 1 4 10 21 24 7 6 8 9 10 10 3 3 5 4 5 2 3 3 2 2 5 6 3 1 3 2 2 2 3 7 19 7 3 3 7 100 17 82 53 7 11 10 3 16 5 4 1 2 4 2 2 12 5 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 5 3 15 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 4 5 7 3 3 2 1 2 3 2 2 2 7 5 9 14 8 26 24 35 25 5 0 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 77 76 dd 1H J 49 85 | 71 70 ddd 1H J 21 84 104 | 66 66 dd 1H J 22 121 | 39 38 s 3H | 38 38 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1(C)OCCN1C(S)=[SH]Cc1ccccc1
ir: 0 5 6 4 1 6 11 7 8 4 6 2 1 9 8 14 5 9 8 7 4 6 6 5 13 7 8 3 3 21 18 24 9 5 6 4 12 91 7 7 11 6 6 9 15 8 8 0 3 7 5 1 3 5 4 3 21 15 5 3 3 7 4 2 10 10 3 4 20 12 5 3 4 7 5 3 8 23 11 3 5 9 7 4 5 5 4 3 8 11 1 4 9 11 2 8 7 11 2 5 11 15 6 8 8 4 1 3 7 11 8 4 10 4 1 4 8 4 4 5 7 7 9 11 9 3 1 4 6 15 3 5 7 3 2 12 5 2 1 4 4 1 48 13 6 3 3 5 4 1 2 32 5 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 1 2 4 2 2 3 4 2 2 4 16 73 1 4 5 2 0 3 5 2 1 3 4 2 14 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 4 3 3 4 4 1 6 5 3 1 3 5 5 14 26 24 12 100 22 7 5 0 3 6 3 1 4 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 74 73 m 6H | 70 70 s 1H | 59 59 s 1H | 42 41 q 2H J 9 | 38 37 ddd 1H J 19 35 99 | 37 36 m 2H | 36 35 ddd 1H J 20 35 115 | 14 13 s 3H | 10 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CC2C=CC1C2
ir: 4 9 17 8 7 14 14 10 5 12 12 11 5 9 11 8 5 11 13 7 8 18 15 22 38 20 31 15 28 18 13 7 8 10 10 6 7 10 12 5 7 13 10 5 7 11 11 6 9 10 11 8 20 16 21 0 23 10 8 8 9 13 9 6 10 12 20 4 13 13 18 6 11 10 6 4 9 15 7 5 12 12 30 69 37 78 26 100 13 42 8 8 13 9 9 14 13 12 7 11 10 11 7 9 11 10 8 8 11 12 7 14 16 18 6 14 11 19 6 10 11 9 11 9 12 9 30 17 12 12 26 10 10 8 10 16 20 18 9 18 15 7 7 9 9 6 6 10 11 8 9 15 10 9 8 10 9 6 7 10 8 5 7 10 8 5 7 10 8 5 7 10 7 5 8 10 7 5 8 10 7 5 8 10 7 6 8 9 7 6 8 9 6 6 9 9 6 6 9 9 6 6 9 9 6 6 9 8 6 7 9 8 6 7 10 8 6 7 10 8 5 7 10 8 5 7 10 8 5 8 10 7 5 8 10 7 5 8 10 7 6 8 9 7 6 8 9 7 6 8 9 6 6 9 9 6 6 9 9 7 7 10 8 6 9 10 10 6 7 10 9 6 8 10 14 8 10 12 19 8 15 15 20 23 20 31 28 9 15 25 12 10 11 74 15 60 31 57 25 7 8 9 7 6 8 9 7 6 8 9 6 6 9 9 6 6 9 8 6 7 9 8 6 7 9 9 6 8 10 8 6 7 9 8 6 7 9 8 5 7 9 7 5 7 9 7 5 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 7 6 8 9 6 6 8 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9; 1HNMR: 61 60 m 2H | 41 40 dddd 1H J 17 37 46 84 | 30 29 m 1H | 28 27 m 1H | 27 27 d 1H J 35 | 21 20 m 1H | 17 16 m 2H | 15 14 dtd 1H J 23 45 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCn1ccnc1
ir: 10 9 9 11 12 35 12 10 5 4 5 4 3 4 3 2 0 2 3 1 1 3 3 1 0 3 3 0 1 4 5 18 9 8 11 30 3 3 3 3 2 4 3 8 26 44 30 10 8 14 6 4 5 4 4 1 4 6 7 5 44 11 7 20 14 4 4 4 18 14 10 11 12 36 7 10 4 6 2 5 7 4 8 8 8 29 100 65 27 27 26 22 15 31 26 32 21 26 27 10 35 34 12 19 30 18 2 4 4 3 1 3 14 16 10 12 12 23 4 10 7 5 6 8 11 9 1 9 7 8 4 5 3 1 1 2 2 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 2 2 0 1 2 2 0 1 2 1 1 2 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 1 2 2 2 0 1 2 1 0 2 3 2 0 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 1 2 3 3 3 7 12 3 5 6 6 3 1 8 13 29 48 79 46 40 65 27 6 17 2 4 5 10 4 3 3 2 1 3 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 77 77 tt 1H J 9 18 | 72 71 ddt 1H J 8 18 41 | 71 71 dd 1H J 17 40 | 59 58 t 1H J 39 | 54 54 dt 2H J 8 39
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncccc1C(=O)NCc1ccc(Oc2ccccc2F)cc1
ir: 1 1 0 0 1 0 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 5 4 1 4 5 12 3 2 0 1 1 1 1 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 6 1 1 1 2 7 1 4 2 1 4 4 3 2 9 2 1 4 8 2 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 6 6 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 1 1 2 6 1 1 1 1 7 100 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 21 43 | 80 80 dd 1H J 21 80 | 78 78 t 1H J 57 | 74 73 m 1H | 73 72 m 4H | 72 71 dd 1H J 44 79 | 71 70 ddd 1H J 11 34 89 | 69 69 s 2H | 69 68 m 2H | 45 45 dt 2H J 9 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)SCC(Cc1ccccc1)C(=O)NN1CCCCCC1
ir: 2 3 0 2 3 6 7 2 1 1 1 3 7 2 1 1 2 1 2 1 1 3 1 1 1 1 1 2 3 6 5 11 12 9 1 2 3 3 7 7 22 100 24 7 2 4 2 2 3 10 8 3 3 1 1 1 1 1 1 1 4 1 3 6 4 3 9 18 5 3 3 3 15 8 4 4 2 1 9 4 1 1 2 3 1 8 23 4 13 14 6 5 2 3 1 2 7 17 7 5 7 10 11 12 13 4 2 2 1 2 4 3 6 3 3 5 2 7 6 14 13 5 5 3 2 3 3 2 1 2 5 3 3 15 14 21 3 8 13 4 2 2 5 8 8 15 11 3 4 7 21 6 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 5 3 5 6 5 5 8 4 6 4 21 25 31 25 31 7 4 3 2 1 2 2 1 1 1 2 1 0 1 2 0 0 2 4 3 1 18 63 15 5 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 s 1H | 73 72 m 1H | 73 72 s 4H | 33 32 dd 1H J 61 140 | 32 30 m 2H | 30 29 m 1H | 28 28 dd 1H J 74 143 | 27 27 t 4H J 65 | 24 23 s 2H | 17 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2
ir: 11 4 5 4 2 3 9 4 0 2 5 5 3 7 12 15 4 4 4 2 3 4 6 18 5 3 3 1 2 2 3 1 1 3 5 1 1 6 3 2 6 28 7 5 3 3 3 2 2 3 3 5 10 5 20 8 22 10 3 3 3 4 2 1 2 3 1 0 7 3 6 5 2 2 4 2 7 2 3 4 3 3 1 7 2 3 2 3 26 17 6 14 2 2 1 2 7 3 1 5 4 2 1 1 2 2 1 1 3 2 1 3 7 12 6 24 4 9 9 8 4 5 13 3 2 2 2 2 2 2 2 2 2 2 3 9 3 17 8 3 5 3 9 3 2 20 41 9 20 27 4 6 3 13 2 3 2 1 2 4 3 0 2 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 3 2 1 2 4 3 2 3 6 6 19 20 16 17 100 26 6 4 3 6 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 2H | 74 74 m 2H | 72 71 m 4H | 54 53 d 2H J 9 | 39 38 d 7H J 17
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C2(CCc3cc(F)ccc32)N1
ir: 2 5 8 5 2 3 10 17 15 7 3 1 2 2 3 5 2 2 1 1 1 1 1 1 2 2 3 3 2 4 6 2 2 2 2 1 3 4 3 1 1 3 3 13 22 81 44 17 5 2 2 4 12 23 12 4 2 1 6 2 2 1 3 3 2 6 2 10 7 2 1 2 1 1 1 1 1 1 2 4 3 1 1 1 2 3 4 4 2 5 4 2 2 3 13 4 2 1 2 8 3 1 2 2 1 1 2 1 1 1 3 14 7 5 2 2 10 4 2 10 8 6 4 5 7 4 3 2 1 2 1 1 2 2 4 4 2 2 2 1 3 3 3 1 1 1 1 2 2 21 10 9 6 5 2 1 2 2 2 1 6 11 83 100 7 0 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 1 2 2 5 4 5 28 8 2 4 2 2 2 2 1 2 1 1 2 1 2 1 1 1 2 2 2 3 6 16 70 13 11 12 3 3 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 85 85 s 1H | 73 73 dd 1H J 44 83 | 70 69 ddd 1H J 24 83 104 | 69 68 ddt 1H J 9 24 122 | 33 32 dddd 1H J 8 52 71 156 | 32 31 dddd 1H J 8 52 71 154 | 28 27 ddd 1H J 52 71 148 | 25 24 ddd 1H J 52 70 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C=Nc1c(C(=O)CN=[N+]=[N-])ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F
ir: 9 6 11 7 13 4 14 21 20 19 31 11 11 22 11 9 25 21 23 31 14 22 24 30 31 5 4 9 9 19 6 7 7 8 2 4 3 4 2 2 3 2 5 5 3 2 3 3 3 3 6 8 7 0 3 4 6 2 4 3 5 1 4 8 8 3 13 21 12 9 7 8 4 3 11 8 16 22 12 2 4 13 6 3 5 6 28 44 77 36 14 37 18 8 16 30 12 17 44 8 16 15 32 30 36 13 14 9 1 16 17 8 4 7 6 3 5 8 32 14 13 6 15 4 3 5 4 8 5 5 3 1 1 2 2 1 1 2 2 1 0 1 2 0 0 2 2 1 1 4 2 5 2 4 57 2 4 42 3 1 3 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 0 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 3 3 2 2 3 6 5 3 4 3 6 4 4 9 11 3 2 4 3 2 4 2 14 100 35 56 36 3 3 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 0 0 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 s 1H | 78 78 hept 1H J 10 | 63 62 dddd 1H J 7 15 43 142 | 47 46 t 1H J 45 | 45 45 dd 1H J 35 51 | 41 40 m 3H | 40 38 m 3H | 36 36 m 1H | 29 28 d 5H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(c2cccc(Oc3ccc(F)cc3)c2)CC1
ir: 0 1 2 4 2 1 1 2 3 11 2 2 1 2 7 0 1 1 4 4 2 0 0 1 1 1 0 1 1 2 2 4 1 1 1 1 2 1 0 0 0 1 1 0 1 5 15 19 8 6 2 2 8 20 65 31 3 5 2 1 1 0 1 5 3 1 1 7 15 5 2 7 8 3 1 3 10 6 6 9 6 3 2 1 1 1 10 1 2 1 1 1 0 1 1 1 0 0 3 1 1 3 1 1 0 1 3 1 2 1 6 5 1 1 1 2 6 4 2 1 0 1 1 1 2 6 4 1 1 2 20 5 1 0 0 1 1 1 1 3 5 6 5 4 2 1 2 35 4 3 1 10 12 5 1 14 4 3 49 0 1 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 2 1 2 1 2 2 1 5 6 8 15 100 44 4 2 3 2 3 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 t 1H J 80 | 74 73 ddd 1H J 11 20 81 | 73 72 tt 2H J 15 88 | 72 71 t 1H J 19 | 71 71 m 1H | 71 70 m 2H | 64 63 p 1H J 9 | 30 29 ddd 2H J 8 60 67 | 27 26 ddd 2H J 9 61 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@]1(c2ccc(C#N)cc2)C[C@@]12C(=O)N(Cc1cccc(C(=O)O)c1)c1ccc(F)cc12
ir: 2 2 1 1 4 3 1 1 1 1 2 2 2 2 2 2 4 3 1 2 12 20 34 12 4 2 7 6 6 1 2 1 4 6 4 1 1 2 4 4 3 0 0 1 1 2 6 11 7 2 1 3 2 3 18 3 9 100 2 1 1 0 2 2 5 1 1 3 3 3 5 2 1 2 1 3 4 26 32 4 0 1 2 3 0 1 4 1 1 1 5 11 13 2 1 1 1 1 1 2 1 1 1 1 3 1 1 1 1 1 1 1 1 9 3 8 8 2 2 3 1 2 2 6 2 8 3 6 2 2 4 1 2 1 1 3 2 8 10 8 7 3 2 1 4 8 43 10 1 1 3 2 7 7 15 1 1 1 2 1 0 1 2 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 4 1 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 2 1 1 5 5 6 2 16 55 24 11 3 2 2 4 1 1 17 7 1 1 1 1 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 td 1H J 11 21 | 79 79 ddd 1H J 12 21 80 | 77 76 m 2H | 75 75 m 2H | 74 74 ddq 1H J 10 22 83 | 74 73 t 1H J 82 | 73 72 dd 1H J 31 121 | 70 69 ddd 1H J 30 83 101 | 68 67 dd 1H J 46 83 | 53 52 m 2H | 24 24 d 1H J 113 | 24 23 hept 1H J 56 | 22 21 d 1H J 114 | 10 9 dd 6H J 55 194
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]ccc2cc(Cl)nc(Cl)c12
ir: 0 3 6 4 1 3 5 2 4 7 5 2 1 3 5 2 1 15 17 3 2 3 4 2 1 7 13 8 2 4 4 2 2 7 6 2 2 4 3 1 2 4 4 2 5 5 4 1 17 24 4 1 3 5 3 1 3 5 3 1 3 4 3 2 7 27 14 1 3 4 2 1 5 11 3 1 3 4 2 1 3 4 2 1 4 4 2 2 4 3 1 2 4 4 2 2 6 5 2 2 4 3 1 2 4 10 23 4 7 3 1 2 5 3 0 3 13 6 1 3 4 2 1 3 4 2 2 4 4 2 2 3 5 16 4 5 4 3 2 4 4 2 2 8 100 2 5 6 4 7 7 5 4 2 2 4 3 2 3 14 16 14 3 5 3 1 2 4 3 1 2 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 5 9 6 6 7 5 5 5 4 4 3 1 3 4 2 2 3 4 2 2 4 5 3 2 3 5 15 26 16 4 3 4 5 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 76 76 s 1H | 73 73 dd 1H J 62 70 | 68 67 d 1H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCC1CCN(c2ccncc2)CC1)c1cccc(-c2nc3cccc(Cl)c3s2)c1
ir: 5 4 4 4 3 2 3 1 2 1 3 2 2 2 3 13 7 5 5 7 13 40 6 4 1 3 2 1 3 5 4 3 2 6 3 4 11 28 93 10 3 9 2 2 5 3 6 15 24 4 1 1 1 1 2 2 5 6 2 2 1 1 1 3 5 3 3 5 2 4 16 10 17 12 4 10 3 1 1 0 5 7 1 4 2 7 3 10 1 1 1 1 3 2 1 1 2 4 2 2 6 2 1 4 11 7 4 2 3 3 9 22 14 5 2 4 10 2 1 2 5 4 1 6 2 4 22 13 4 18 4 4 6 4 4 2 3 3 10 33 35 9 5 4 7 2 45 29 100 10 5 2 1 3 6 11 2 3 8 1 9 44 5 3 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 3 0 1 3 1 0 3 2 4 2 9 17 40 98 37 18 5 3 2 2 2 1 1 1 1 0 1 1 1 1 2 3 2 3 5 4 4 40 13 10 2 2 3 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 t 1H J 22 | 82 82 m 2H | 81 80 t 1H J 52 | 80 79 ddd 1H J 13 22 86 | 79 78 m 2H | 77 76 t 1H J 82 | 75 74 m 2H | 65 64 m 2H | 35 34 m 2H | 33 33 d 1H J 53 | 33 33 s 1H | 33 32 m 2H | 19 18 m 2H | 17 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CCNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)OCCO1
ir: 2 5 16 3 2 10 10 3 1 5 7 2 0 3 4 2 1 4 7 3 3 10 5 2 2 6 15 5 7 12 10 13 17 10 4 2 14 14 3 2 8 10 25 28 26 35 20 13 8 6 15 14 3 7 4 2 6 9 4 2 4 4 2 1 3 6 7 5 4 6 4 1 3 4 2 1 3 4 1 1 4 6 1 1 3 3 1 2 12 9 3 5 11 12 7 7 5 6 3 5 6 4 3 8 16 12 26 15 6 4 1 4 6 10 9 6 10 5 0 12 18 9 12 10 7 5 10 10 11 17 15 4 5 6 5 3 3 5 3 7 11 13 6 6 28 100 28 13 23 38 22 10 16 12 2 3 3 0 9 4 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 4 3 1 2 4 5 3 7 8 3 1 5 8 5 17 16 15 16 61 25 10 30 29 6 3 3 3 3 2 2 2 2 3 3 2 2 5 5 5 17 17 7 10 14 28 35 6 7 6 3 2 3 3 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 t 1H J 49 | 75 74 m 2H | 74 74 dd 1H J 13 75 | 73 73 m 1H | 47 46 m 1H | 40 39 m 4H | 39 38 m 2H | 38 37 dd 2H J 18 93 | 33 32 td 2H J 48 69 | 20 20 t 2H J 68 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(=O)oc2cc(NC(=O)OCc3ccc(OCc4cc5ccccc5o4)cc3)ccc12
ir: 2 3 5 4 1 2 4 2 1 2 5 4 2 2 4 1 2 1 2 3 2 4 3 1 3 3 3 4 7 3 12 7 10 7 5 2 3 5 2 0 2 4 7 3 12 7 4 1 3 5 3 4 6 20 10 3 2 3 3 3 2 5 8 3 3 4 9 4 19 15 9 2 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 5 3 2 0 1 3 4 7 10 3 19 2 2 2 3 15 2 5 5 6 2 2 2 0 7 4 3 2 2 3 3 2 3 2 2 0 2 3 2 0 1 3 1 3 2 2 1 1 2 22 33 4 4 5 7 100 6 2 2 2 4 10 22 3 3 12 9 6 2 2 3 3 9 52 2 2 5 9 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 0 1 2 1 1 8 6 15 47 25 26 9 6 4 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 3 29 22 3 1 1 2 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 s 1H | 77 77 d 1H J 22 | 77 76 d 1H J 82 | 76 75 m 1H | 75 74 m 2H | 73 72 m 3H | 72 71 ddd 1H J 11 79 90 | 69 68 m 3H | 62 61 q 1H J 14 | 51 51 d 2H J 10 | 50 50 d 2H J 10 | 25 24 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(Cl)c(F)c3)cc(=O)c2c1O
ir: 2 4 2 5 6 6 2 6 8 6 5 5 2 1 2 1 2 5 6 11 13 15 23 16 6 7 2 3 2 2 2 1 0 2 2 2 2 4 1 2 1 0 2 1 2 1 12 15 13 5 4 3 2 4 6 6 5 4 2 4 2 7 7 26 25 28 5 2 7 6 4 4 9 11 11 12 3 2 2 1 2 1 1 1 3 3 15 12 13 39 7 8 4 3 1 5 11 7 2 5 6 6 13 2 2 2 1 1 1 1 1 1 2 3 1 2 6 3 5 5 4 2 4 3 1 1 1 2 2 1 1 2 3 1 2 4 2 2 4 2 2 1 0 1 1 1 1 1 2 12 2 1 2 2 1 2 37 0 8 8 100 6 2 3 14 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 0 2 2 2 1 3 4 17 6 19 7 20 12 10 31 82 12 13 25 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H | 76 75 m 2H | 75 74 dd 1H J 47 96 | 67 66 s 1H | 53 52 dddq 2H J 17 34 71 86 | 35 34 ddp 4H J 10 70 101 | 17 17 q 13H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=CC(C2(C3C=Cc4c(-c5ccccc5)cccc43)CCCC2)c2cccc(-c3ccccc3)c21
ir: 0 0 0 0 0 0 5 1 0 0 0 0 0 1 3 2 1 1 0 1 1 0 0 1 1 1 1 4 5 4 12 8 1 4 4 0 2 1 2 8 6 100 16 24 7 20 10 2 15 9 12 2 1 0 1 0 1 1 0 0 0 0 0 1 0 1 1 4 14 2 1 1 1 1 1 1 1 2 5 3 3 2 1 0 1 1 1 1 2 2 7 2 1 1 1 5 2 3 4 1 1 2 3 1 1 1 1 1 1 1 1 1 3 2 7 4 2 1 0 2 1 0 0 1 1 0 2 2 3 6 3 3 1 1 8 8 2 1 14 24 13 3 7 4 2 4 7 3 2 2 4 5 1 2 9 4 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 2 2 4 5 5 6 12 34 75 34 19 14 6 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 2H J 12 78 | 76 75 m 4H | 75 74 m 6H | 74 73 m 4H | 69 68 dd 2H J 18 93 | 62 62 dd 2H J 72 93 | 33 33 dd 2H J 17 71 | 19 18 m 2H | 19 18 m 3H | 18 18 s 2H | 16 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CC(=O)N(C(c2ccco2)c2c[nH]c3ccccc23)C1
ir: 0 11 7 9 8 3 6 6 5 5 1 3 4 2 2 5 6 6 16 12 13 8 8 5 10 100 16 10 6 1 1 2 3 4 8 17 9 4 6 4 13 35 60 22 4 1 2 2 1 1 2 3 2 2 3 4 7 7 22 4 2 0 1 2 3 1 5 18 13 9 4 4 6 2 8 5 5 12 5 2 3 5 28 48 2 3 3 2 3 9 12 7 5 4 5 4 18 6 12 9 5 7 6 12 12 5 6 16 33 15 7 4 2 6 16 17 11 4 11 5 5 7 16 7 10 12 22 6 3 3 4 5 19 8 4 5 1 11 2 2 7 47 21 1 1 3 4 3 20 41 8 12 56 5 21 11 2 2 1 1 1 4 4 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 2 0 0 1 1 0 1 1 1 1 1 3 2 1 3 7 5 5 2 5 6 9 11 9 18 15 12 55 39 61 36 22 6 6 6 6 3 1 1 2 1 0 2 2 1 1 2 2 0 1 2 5 8 19 35 15 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 89 d 1H J 70 | 78 77 m 1H | 76 76 m 1H | 74 74 t 1H J 16 | 74 73 m 1H | 72 71 m 2H | 65 64 m 1H | 63 63 dd 1H J 16 52 | 63 62 s 1H | 39 38 m 1H | 36 35 m 1H | 25 25 m 1H | 23 22 m 2H | 16 15 dq 1H J 64 128 | 15 12 m 3H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.